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Sulfanylbenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a sulfanyl group substitution; a sulfanyl group is a sulfur atom bonded to a hydrogen atom via a single bond. Includes compounds that are directly derived from sulfanylbenzoic acid.

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1

4-(Pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 832-32-6 Molecular Formula: C7H5F5O2S Molecular Weight (g/mol): 248.17 MDL Number: MFCD03788718 InChI Key: KNXWKVQRYPQFOT-UHFFFAOYSA-N Synonym: 4-pentafluorosulfanyl benzoic acid,4-pentafluorothio benzoic acid,4-pentafluoro-??-sulfanyl benzoic acid,4-pentafluorosulfanylbenzoic acid,4-pentafluorosulphanylbenzoic acid,4-pentafluorosulphanyl-benzoic acid,4-carboxyphenylsulphur pentafluoride,4-pentafluorosulphanyl benzoic acid,4-pentafluorothio vi benzoic acid PubChem CID: 2779210 IUPAC Name: 4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)S(F)(F)(F)(F)F

PubChem CID 2779210
CAS 832-32-6
Molecular Weight (g/mol) 248.17
MDL Number MFCD03788718
SMILES OC(=O)C1=CC=C(C=C1)S(F)(F)(F)(F)F
Synonym 4-pentafluorosulfanyl benzoic acid,4-pentafluorothio benzoic acid,4-pentafluoro-??-sulfanyl benzoic acid,4-pentafluorosulfanylbenzoic acid,4-pentafluorosulphanylbenzoic acid,4-pentafluorosulphanyl-benzoic acid,4-carboxyphenylsulphur pentafluoride,4-pentafluorosulphanyl benzoic acid,4-pentafluorothio vi benzoic acid
IUPAC Name 4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key KNXWKVQRYPQFOT-UHFFFAOYSA-N
Molecular Formula C7H5F5O2S
2

3-(Pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 833-96-5 Molecular Formula: C7H5F5O2S Molecular Weight (g/mol): 248.167 MDL Number: MFCD03788519 InChI Key: AKFDIYXSRGLRAB-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 2779209 IUPAC Name: 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O

PubChem CID 2779209
CAS 833-96-5
Molecular Weight (g/mol) 248.167
MDL Number MFCD03788519
SMILES C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O
Synonym 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid
IUPAC Name 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key AKFDIYXSRGLRAB-UHFFFAOYSA-N
Molecular Formula C7H5F5O2S
3

4-(Trifluoromethylthio)benzoic acid, 97%, Thermo Scientific™

CAS: 330-17-6 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.181 MDL Number: MFCD00040906 InChI Key: UMOGQQWVQUQTQA-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid PubChem CID: 2777858 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)SC(F)(F)F

PubChem CID 2777858
CAS 330-17-6
Molecular Weight (g/mol) 222.181
MDL Number MFCD00040906
SMILES C1=CC(=CC=C1C(=O)O)SC(F)(F)F
Synonym 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid
IUPAC Name 4-(trifluoromethylsulfanyl)benzoic acid
InChI Key UMOGQQWVQUQTQA-UHFFFAOYSA-N
Molecular Formula C8H5F3O2S
4

3-(Pentafluorothio)benzamide, 97%, Thermo Scientific™

CAS: 1240257-83-3 Molecular Formula: C7H6F5NOS Molecular Weight (g/mol): 247.18 MDL Number: MFCD16652410 InChI Key: YLMGGQIZDXTBKX-UHFFFAOYSA-N Synonym: 3-pentafluorosulfur benzamide,3-pentafluoro-??-sulfanyl benzamide,3-pentafluorothio benzamide PubChem CID: 66523450 SMILES: NC(=O)C1=CC(=CC=C1)S(F)(F)(F)(F)F

PubChem CID 66523450
CAS 1240257-83-3
Molecular Weight (g/mol) 247.18
MDL Number MFCD16652410
SMILES NC(=O)C1=CC(=CC=C1)S(F)(F)(F)(F)F
Synonym 3-pentafluorosulfur benzamide,3-pentafluoro-??-sulfanyl benzamide,3-pentafluorothio benzamide
InChI Key YLMGGQIZDXTBKX-UHFFFAOYSA-N
Molecular Formula C7H6F5NOS
5

2-(Carboxymethylthio)benzoic acid, 97%, Thermo Scientific™

CAS: 135-13-7 Molecular Formula: C9H8O4S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00021761 InChI Key: GMBZSYUPMWCDGK-UHFFFAOYSA-N Synonym: 2-carboxymethylthio benzoic acid,2-carboxymethyl thio benzoic acid,2-carboxymethyl sulfanyl benzoic acid,o-carboxyphenylthio acetic acid,2-carboxyphenylthioglycolic acid,acetic acid, 2-carboxyphenyl thio,o-carboxyphenylthioglycollic acid,benzoic acid, 2-carboxymethylthio PubChem CID: 8660 IUPAC Name: 2-(carboxymethylsulfanyl)benzoic acid SMILES: OC(=O)CSC1=CC=CC=C1C(O)=O

PubChem CID 8660
CAS 135-13-7
Molecular Weight (g/mol) 212.22
MDL Number MFCD00021761
SMILES OC(=O)CSC1=CC=CC=C1C(O)=O
Synonym 2-carboxymethylthio benzoic acid,2-carboxymethyl thio benzoic acid,2-carboxymethyl sulfanyl benzoic acid,o-carboxyphenylthio acetic acid,2-carboxyphenylthioglycolic acid,acetic acid, 2-carboxyphenyl thio,o-carboxyphenylthioglycollic acid,benzoic acid, 2-carboxymethylthio
IUPAC Name 2-(carboxymethylsulfanyl)benzoic acid
InChI Key GMBZSYUPMWCDGK-UHFFFAOYSA-N
Molecular Formula C9H8O4S
6

4-(Pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™

CAS: 197384-98-8 Molecular Formula: C7H4ClF5OS Molecular Weight (g/mol): 266.61 MDL Number: MFCD03788523 InChI Key: NNFDYUZNKYWPGP-UHFFFAOYSA-N Synonym: 4-pentafluorosulfanyl benzoyl chloride,4-pentafluorothio benzoyl chloride,sulfur, 4-chlorocarbonyl phenyl pentafluoro-, oc-6-21-9ci,4-pentafluoro-??-sulfanyl benzoyl chloride,4-pentafluorosulfanylbenzoic chloride,4-pentafluorosulphanylbenzoyl chloride,4-pentafluorosulphanyl benzoyl chloride,4-chlorocarbonyl phenylsulphur pentafluoride,4-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,4-pentafluoro-lambda6-sulfanyl benzoyl chloride PubChem CID: 2779215 IUPAC Name: 4-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC=C(C=C1)C(Cl)=O

PubChem CID 2779215
CAS 197384-98-8
Molecular Weight (g/mol) 266.61
MDL Number MFCD03788523
SMILES FS(F)(F)(F)(F)C1=CC=C(C=C1)C(Cl)=O
Synonym 4-pentafluorosulfanyl benzoyl chloride,4-pentafluorothio benzoyl chloride,sulfur, 4-chlorocarbonyl phenyl pentafluoro-, oc-6-21-9ci,4-pentafluoro-??-sulfanyl benzoyl chloride,4-pentafluorosulfanylbenzoic chloride,4-pentafluorosulphanylbenzoyl chloride,4-pentafluorosulphanyl benzoyl chloride,4-chlorocarbonyl phenylsulphur pentafluoride,4-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,4-pentafluoro-lambda6-sulfanyl benzoyl chloride
IUPAC Name 4-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride
InChI Key NNFDYUZNKYWPGP-UHFFFAOYSA-N
Molecular Formula C7H4ClF5OS
7

3-(Pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™

CAS: 401892-81-7 Molecular Formula: C7H4ClF5OS Molecular Weight (g/mol): 266.61 MDL Number: MFCD03788522 InChI Key: IDHIADOQLRPGHK-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride PubChem CID: 2779213 IUPAC Name: 3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O

PubChem CID 2779213
CAS 401892-81-7
Molecular Weight (g/mol) 266.61
MDL Number MFCD03788522
SMILES FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O
Synonym 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride
IUPAC Name 3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride
InChI Key IDHIADOQLRPGHK-UHFFFAOYSA-N
Molecular Formula C7H4ClF5OS
8

2-(Methylsulfinyl)benzoic acid, 97%, Thermo Scientific™

CAS: 19093-34-6 Molecular Formula: C8H8O3S Molecular Weight (g/mol): 184.21 MDL Number: MFCD01936003 InChI Key: JVYFTEBQXOBPAB-UHFFFAOYNA-N Synonym: 2-methylsulfinyl benzoic acid,2-methylsulfinyl benzenecarboxylic acid,2-methanesulfinylbenzoic acid,o-methylsulfinyl benzoic acid,benzoic acid, o-methylsulfinyl,benzoic acid, 2-methylsulfinyl,acmc-20aomr,2-methanesulfinyl benzoic acid,o-carboxyphenyl methyl sulfoxide,methylsulfinylbenzenecarboxylicacid PubChem CID: 320058 IUPAC Name: 2-methylsulfinylbenzoic acid SMILES: CS(=O)C1=CC=CC=C1C(O)=O

PubChem CID 320058
CAS 19093-34-6
Molecular Weight (g/mol) 184.21
MDL Number MFCD01936003
SMILES CS(=O)C1=CC=CC=C1C(O)=O
Synonym 2-methylsulfinyl benzoic acid,2-methylsulfinyl benzenecarboxylic acid,2-methanesulfinylbenzoic acid,o-methylsulfinyl benzoic acid,benzoic acid, o-methylsulfinyl,benzoic acid, 2-methylsulfinyl,acmc-20aomr,2-methanesulfinyl benzoic acid,o-carboxyphenyl methyl sulfoxide,methylsulfinylbenzenecarboxylicacid
IUPAC Name 2-methylsulfinylbenzoic acid
InChI Key JVYFTEBQXOBPAB-UHFFFAOYNA-N
Molecular Formula C8H8O3S
9

3-Fluoro-5-(pentafluorothio)benzamide, 97%, Thermo Scientific™

CAS: 1240256-88-5 Molecular Formula: C7H5F6NOS Molecular Weight (g/mol): 265.17 MDL Number: MFCD16652428 InChI Key: HOLSCWIIFRPMDH-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzamide,3-fluoro-5-pentafluoro-??-sulfanyl benzamide,3-fluoro-5-pentafluorothio benzamide PubChem CID: 66523469 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide SMILES: NC(=O)C1=CC(F)=CC(=C1)S(F)(F)(F)(F)F

PubChem CID 66523469
CAS 1240256-88-5
Molecular Weight (g/mol) 265.17
MDL Number MFCD16652428
SMILES NC(=O)C1=CC(F)=CC(=C1)S(F)(F)(F)(F)F
Synonym 3-fluoro-5-pentafluorosulfur benzamide,3-fluoro-5-pentafluoro-??-sulfanyl benzamide,3-fluoro-5-pentafluorothio benzamide
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide
InChI Key HOLSCWIIFRPMDH-UHFFFAOYSA-N
Molecular Formula C7H5F6NOS
10

3-Chloro-5-(pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™

CAS: 1240257-81-1 Molecular Formula: C7H3Cl2F5OS Molecular Weight (g/mol): 301.05 MDL Number: MFCD16652451 InChI Key: GLJCAZZLRUQUSD-UHFFFAOYSA-N Synonym: 3-chloro-5-pentafluorosulfur benzoyl chloride,3-chloro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-chloro-5-pentafluorothio benzoyl chloride PubChem CID: 66523519 IUPAC Name: 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC(Cl)=CC(=C1)C(Cl)=O

PubChem CID 66523519
CAS 1240257-81-1
Molecular Weight (g/mol) 301.05
MDL Number MFCD16652451
SMILES FS(F)(F)(F)(F)C1=CC(Cl)=CC(=C1)C(Cl)=O
Synonym 3-chloro-5-pentafluorosulfur benzoyl chloride,3-chloro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-chloro-5-pentafluorothio benzoyl chloride
IUPAC Name 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride
InChI Key GLJCAZZLRUQUSD-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F5OS
11

3-Methyl-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1448317-68-7 Molecular Formula: C8H7F5O2S Molecular Weight (g/mol): 262.194 MDL Number: MFCD16652478 InChI Key: DHRPCCNJMXXYMQ-UHFFFAOYSA-N Synonym: 3-methyl-5-pentafluorosulfur benzoic acid,3-methyl-5-pentafluoro-??-sulfanyl benzoic acid,3-methyl-5-pentafluorothio benzoic acid,3-methyl-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 66523589 IUPAC Name: 3-methyl-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)S(F)(F)(F)(F)F

PubChem CID 66523589
CAS 1448317-68-7
Molecular Weight (g/mol) 262.194
MDL Number MFCD16652478
SMILES CC1=CC(=CC(=C1)C(=O)O)S(F)(F)(F)(F)F
Synonym 3-methyl-5-pentafluorosulfur benzoic acid,3-methyl-5-pentafluoro-??-sulfanyl benzoic acid,3-methyl-5-pentafluorothio benzoic acid,3-methyl-5-pentafluoro-lambda6-sulphanyl benzoic acid
IUPAC Name 3-methyl-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key DHRPCCNJMXXYMQ-UHFFFAOYSA-N
Molecular Formula C8H7F5O2S
12

2-Chloro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1431329-70-2 Molecular Formula: C7H4ClF5O2S Molecular Weight (g/mol): 282.609 MDL Number: MFCD22988931 InChI Key: KNKMPGVWOPIPMH-UHFFFAOYSA-N Synonym: 2-chloro-5-pentafluorothio benzoic acid,2-chloro-5-pentafluorosulfur benzoic acid,2-chloro-5-pentafluoro-??-sulfanyl benzoic acid PubChem CID: 73995201 IUPAC Name: 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)Cl

PubChem CID 73995201
CAS 1431329-70-2
Molecular Weight (g/mol) 282.609
MDL Number MFCD22988931
SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)Cl
Synonym 2-chloro-5-pentafluorothio benzoic acid,2-chloro-5-pentafluorosulfur benzoic acid,2-chloro-5-pentafluoro-??-sulfanyl benzoic acid
IUPAC Name 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key KNKMPGVWOPIPMH-UHFFFAOYSA-N
Molecular Formula C7H4ClF5O2S
13

2-Fluoro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1240257-15-1 Molecular Formula: C7H4F6O2S Molecular Weight (g/mol): 266.157 MDL Number: MFCD16652494 InChI Key: HQONRARZDMQSRY-UHFFFAOYSA-N Synonym: 2-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,2-fluoro-5-pentafluorothio benzoic acid,2-fluoro-5-pentafluorosulfur benzoic acid PubChem CID: 66523626 IUPAC Name: 2-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)F

PubChem CID 66523626
CAS 1240257-15-1
Molecular Weight (g/mol) 266.157
MDL Number MFCD16652494
SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)F
Synonym 2-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,2-fluoro-5-pentafluorothio benzoic acid,2-fluoro-5-pentafluorosulfur benzoic acid
IUPAC Name 2-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key HQONRARZDMQSRY-UHFFFAOYSA-N
Molecular Formula C7H4F6O2S
14

3-Fluoro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1448319-13-8 Molecular Formula: C7H4F6O2S Molecular Weight (g/mol): 266.157 MDL Number: MFCD16652421 InChI Key: WQRFQFPUMUJGOL-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzoic acid,3-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,3-fluoro-5-pentafluorothio benzoic acid,3-fluoro-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 66523461 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)O

PubChem CID 66523461
CAS 1448319-13-8
Molecular Weight (g/mol) 266.157
MDL Number MFCD16652421
SMILES C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)O
Synonym 3-fluoro-5-pentafluorosulfur benzoic acid,3-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,3-fluoro-5-pentafluorothio benzoic acid,3-fluoro-5-pentafluoro-lambda6-sulphanyl benzoic acid
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key WQRFQFPUMUJGOL-UHFFFAOYSA-N
Molecular Formula C7H4F6O2S
15

2-Chloro-5-(pentafluorothio)benzamide, 97%, Thermo Scientific™

CAS: 1431329-71-3 Molecular Formula: C7H5ClF5NOS Molecular Weight (g/mol): 281.625 MDL Number: MFCD22988934 InChI Key: ISPQOXNUNOTXHB-UHFFFAOYSA-N Synonym: 2-chloro-5-pentafluorothio benzamide,2-chloro-5-pentafluorosulfur benzamide,2-chloro-5-pentafluoro-??-sulfanyl benzamide PubChem CID: 73995213 IUPAC Name: 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)N)Cl

PubChem CID 73995213
CAS 1431329-71-3
Molecular Weight (g/mol) 281.625
MDL Number MFCD22988934
SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)N)Cl
Synonym 2-chloro-5-pentafluorothio benzamide,2-chloro-5-pentafluorosulfur benzamide,2-chloro-5-pentafluoro-??-sulfanyl benzamide
IUPAC Name 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide
InChI Key ISPQOXNUNOTXHB-UHFFFAOYSA-N
Molecular Formula C7H5ClF5NOS