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Thioureas

Organosulfur compounds that have a thiocarbonyl functional group bonded to a nitrogen atom at each side and each nitrogen is bonded to a carbon atom; they are structurally similar to urea, except that the oxygen atom is replaced by a sulfur atom.

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1

2-Thiouracil, 99%, Thermo Scientific Chemicals

CAS: 141-90-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00006039 InChI Key: ZEMGGZBWXRYJHK-UHFFFAOYSA-N Synonym: 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine PubChem CID: 1269845 ChEBI: CHEBI:348530 IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one SMILES: O=C1NC(=S)NC=C1

PubChem CID 1269845
CAS 141-90-2
Molecular Weight (g/mol) 128.15
ChEBI CHEBI:348530
MDL Number MFCD00006039
SMILES O=C1NC(=S)NC=C1
Synonym 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine
IUPAC Name 2-sulfanylidene-1H-pyrimidin-4-one
InChI Key ZEMGGZBWXRYJHK-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
2

Morpholine-4-carbothioamide, 97%, Thermo Scientific™

CAS: 14294-10-1 Molecular Formula: C5H10N2OS Molecular Weight (g/mol): 146.21 MDL Number: MFCD00178434 InChI Key: GSLBUBZXFUYMSW-UHFFFAOYSA-N Synonym: 4-morpholinecarbothioamide,1-morpholinethiocarboximide,4-morpholinethiocarboxamide,morpholine-4-carbothioic acid amide,aminomorpholin-4-ylmethane-1-thione,thiocarbamoylmorpholine,morpholine-4-carbothioicacidamide,4-amino thiocarbonyl morpholine PubChem CID: 2393544 IUPAC Name: morpholine-4-carbothioamide SMILES: NC(=S)N1CCOCC1

PubChem CID 2393544
CAS 14294-10-1
Molecular Weight (g/mol) 146.21
MDL Number MFCD00178434
SMILES NC(=S)N1CCOCC1
Synonym 4-morpholinecarbothioamide,1-morpholinethiocarboximide,4-morpholinethiocarboxamide,morpholine-4-carbothioic acid amide,aminomorpholin-4-ylmethane-1-thione,thiocarbamoylmorpholine,morpholine-4-carbothioicacidamide,4-amino thiocarbonyl morpholine
IUPAC Name morpholine-4-carbothioamide
InChI Key GSLBUBZXFUYMSW-UHFFFAOYSA-N
Molecular Formula C5H10N2OS
3

N-(4-Pyridyl)thiourea, 97%, Thermo Scientific™

CAS: 164670-44-4 Molecular Formula: C6H7N3S Molecular Weight (g/mol): 153.203 MDL Number: MFCD00068177 InChI Key: HLOFIQOOOSRNFY-UHFFFAOYSA-N Synonym: 4-pyridylthiourea,n-4-pyridyl thiourea,pyridin-4-yl thiourea,1-pyridin-4-yl thiourea,1-4-pyridyl-2-thiourea,pyridin-4-yl-thiourea,amino 4-pyridylamino methane-1-thione,acmc-20amay,n-pyridin-4-ylthiourea,1-pyridin-4-ylthiourea PubChem CID: 2737249 IUPAC Name: pyridin-4-ylthiourea SMILES: C1=CN=CC=C1NC(=S)N

PubChem CID 2737249
CAS 164670-44-4
Molecular Weight (g/mol) 153.203
MDL Number MFCD00068177
SMILES C1=CN=CC=C1NC(=S)N
Synonym 4-pyridylthiourea,n-4-pyridyl thiourea,pyridin-4-yl thiourea,1-pyridin-4-yl thiourea,1-4-pyridyl-2-thiourea,pyridin-4-yl-thiourea,amino 4-pyridylamino methane-1-thione,acmc-20amay,n-pyridin-4-ylthiourea,1-pyridin-4-ylthiourea
IUPAC Name pyridin-4-ylthiourea
InChI Key HLOFIQOOOSRNFY-UHFFFAOYSA-N
Molecular Formula C6H7N3S
4

4-Hydroxy-2-mercapto-6-methylpyrimidine, 98%, Thermo Scientific Chemicals

CAS: 56-04-2 Molecular Formula: C5H6N2OS Molecular Weight (g/mol): 142.18 MDL Number: MFCD00006040 InChI Key: HWGBHCRJGXAGEU-UHFFFAOYSA-N Synonym: methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol PubChem CID: 667493 ChEBI: CHEBI:82346 IUPAC Name: 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one SMILES: CC1=CC(=O)NC(=S)N1

PubChem CID 667493
CAS 56-04-2
Molecular Weight (g/mol) 142.18
ChEBI CHEBI:82346
MDL Number MFCD00006040
SMILES CC1=CC(=O)NC(=S)N1
Synonym methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol
IUPAC Name 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI Key HWGBHCRJGXAGEU-UHFFFAOYSA-N
Molecular Formula C5H6N2OS
5

N-Ethylthiourea, 99%, Thermo Scientific Chemicals

CAS: 625-53-6 Molecular Formula: C3H8N2S Molecular Weight (g/mol): 104.171 MDL Number: MFCD00004939 InChI Key: GMEHFXXZSWDEDB-UHFFFAOYSA-N Synonym: n-ethylthiourea,1-ethylthiourea,1-ethyl-2-thiourea,thiourea, ethyl,n-ethylthiocarbamide,ethyl thiourea,ethyl-2-thiourea,thiourea, n-ethyl,urea, 1-ethyl-2-thio,unii-u54or2e97e PubChem CID: 3032338 IUPAC Name: ethylthiourea SMILES: CCNC(=S)N

PubChem CID 3032338
CAS 625-53-6
Molecular Weight (g/mol) 104.171
MDL Number MFCD00004939
SMILES CCNC(=S)N
Synonym n-ethylthiourea,1-ethylthiourea,1-ethyl-2-thiourea,thiourea, ethyl,n-ethylthiocarbamide,ethyl thiourea,ethyl-2-thiourea,thiourea, n-ethyl,urea, 1-ethyl-2-thio,unii-u54or2e97e
IUPAC Name ethylthiourea
InChI Key GMEHFXXZSWDEDB-UHFFFAOYSA-N
Molecular Formula C3H8N2S
6

N-Isopropylthiourea, 97%, Thermo Scientific™

CAS: 1719-76-2 Molecular Formula: C4H10N2S Molecular Weight (g/mol): 118.198 MDL Number: MFCD00041375 InChI Key: POXAIQSXNOEQGM-UHFFFAOYSA-N Synonym: n-isopropylthiourea,isopropylthiourea,isopropyl thiourea,urea, 1-isopropyl-2-thio,usaf d-6,1-isopropyl-2-thiourea,isopropyl-thiourea,1-isopropylthiourea,propan-2-yl thiourea,1-iso-propyl-2-thiourea PubChem CID: 1711921 IUPAC Name: propan-2-ylthiourea SMILES: CC(C)NC(=S)N

PubChem CID 1711921
CAS 1719-76-2
Molecular Weight (g/mol) 118.198
MDL Number MFCD00041375
SMILES CC(C)NC(=S)N
Synonym n-isopropylthiourea,isopropylthiourea,isopropyl thiourea,urea, 1-isopropyl-2-thio,usaf d-6,1-isopropyl-2-thiourea,isopropyl-thiourea,1-isopropylthiourea,propan-2-yl thiourea,1-iso-propyl-2-thiourea
IUPAC Name propan-2-ylthiourea
InChI Key POXAIQSXNOEQGM-UHFFFAOYSA-N
Molecular Formula C4H10N2S
7

N,N'-Dimethylthiourea, 99%, Thermo Scientific Chemicals

CAS: 534-13-4 Molecular Formula: C3H8N2S Molecular Weight (g/mol): 104.18 MDL Number: MFCD00004923 InChI Key: VLCDUOXHFNUCKK-UHFFFAOYSA-N Synonym: n,n'-dimethylthiourea,1,3-dimethyl-2-thiourea,thiourea, n,n'-dimethyl,sym-dimethylthiourea,dimethylthiocarbamide,dimethylthiourea,1,3-dimethylisothiourea,dimethyl-2-thiourea,urea, 1,3-dimethyl-2-thio,unii-8p30pmd17w PubChem CID: 2723631 IUPAC Name: 1,3-dimethylthiourea SMILES: CNC(=S)NC

PubChem CID 2723631
CAS 534-13-4
Molecular Weight (g/mol) 104.18
MDL Number MFCD00004923
SMILES CNC(=S)NC
Synonym n,n'-dimethylthiourea,1,3-dimethyl-2-thiourea,thiourea, n,n'-dimethyl,sym-dimethylthiourea,dimethylthiocarbamide,dimethylthiourea,1,3-dimethylisothiourea,dimethyl-2-thiourea,urea, 1,3-dimethyl-2-thio,unii-8p30pmd17w
IUPAC Name 1,3-dimethylthiourea
InChI Key VLCDUOXHFNUCKK-UHFFFAOYSA-N
Molecular Formula C3H8N2S
8

N,N'-Dicyclohexylthiourea, 98+%, Thermo Scientific™

CAS: 1212-29-9 Molecular Formula: C13H24N2S Molecular Weight (g/mol): 240.409 MDL Number: MFCD00021316 InChI Key: KAJICSGLHKRDLN-UHFFFAOYSA-N Synonym: n,n'-dicyclohexylthiourea,thiourea, n,n'-dicyclohexyl,1,3-dicyclohexyl-2-thiourea,sym-dicyclohexylthiourea,dicyclohexyl thiourea,sym-dicyclohexythiourea,1,3-bis cyclohexyl thiourea,n,n'-dicyclohexylthiocarbamide,n,n'-dicyclohexyl-2-thiourea,dicyclohexylthiourea PubChem CID: 727200 IUPAC Name: 1,3-dicyclohexylthiourea SMILES: C1CCC(CC1)NC(=S)NC2CCCCC2

PubChem CID 727200
CAS 1212-29-9
Molecular Weight (g/mol) 240.409
MDL Number MFCD00021316
SMILES C1CCC(CC1)NC(=S)NC2CCCCC2
Synonym n,n'-dicyclohexylthiourea,thiourea, n,n'-dicyclohexyl,1,3-dicyclohexyl-2-thiourea,sym-dicyclohexylthiourea,dicyclohexyl thiourea,sym-dicyclohexythiourea,1,3-bis cyclohexyl thiourea,n,n'-dicyclohexylthiocarbamide,n,n'-dicyclohexyl-2-thiourea,dicyclohexylthiourea
IUPAC Name 1,3-dicyclohexylthiourea
InChI Key KAJICSGLHKRDLN-UHFFFAOYSA-N
Molecular Formula C13H24N2S
9

N,N'-Dibenzylthiourea, 98%, Thermo Scientific™

CAS: 1424-14-2 Molecular Formula: C15H16N2S Molecular Weight (g/mol): 256.367 MDL Number: MFCD00022013 InChI Key: LQZPSWMMTICWHD-UHFFFAOYSA-N Synonym: n,n'-dibenzylthiourea,sym-dibenzylthiourea,thiourea, n,n'-bis phenylmethyl,1,3-dibenzyl-2-thiourea,thiourea, bis phenylmethyl,urea, 1,3-dibenzyl-2-thio,dibenzylthiourea,acmc-20ak9g,n,n/'-dibenzylthiourea,urea,3-dibenzyl-2-thio PubChem CID: 838375 IUPAC Name: 1,3-dibenzylthiourea SMILES: C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2

PubChem CID 838375
CAS 1424-14-2
Molecular Weight (g/mol) 256.367
MDL Number MFCD00022013
SMILES C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2
Synonym n,n'-dibenzylthiourea,sym-dibenzylthiourea,thiourea, n,n'-bis phenylmethyl,1,3-dibenzyl-2-thiourea,thiourea, bis phenylmethyl,urea, 1,3-dibenzyl-2-thio,dibenzylthiourea,acmc-20ak9g,n,n/'-dibenzylthiourea,urea,3-dibenzyl-2-thio
IUPAC Name 1,3-dibenzylthiourea
InChI Key LQZPSWMMTICWHD-UHFFFAOYSA-N
Molecular Formula C15H16N2S
10

N,N'-Diallylthiourea, 96%, Thermo Scientific™

CAS: 6601-20-3 Molecular Formula: C7H12N2S Molecular Weight (g/mol): 156.247 MDL Number: MFCD00014945 InChI Key: DZZWKUMHMSNBSG-UHFFFAOYSA-N Synonym: 1,3-diallylthiourea,1,3-diallyl-2-thiourea,diallylthiourea,n,n'-diallylthiourea,bisallylthiocarbamide,n,n'-bis-allylthiourea,thiourea, n,n'-di-2-propenyl,thiourea, n,n'-di-2-propen-1-yl,1,3-bis prop-2-en-1-yl thiourea,1,3-bis prop-2-enyl thiourea PubChem CID: 3034186 IUPAC Name: 1,3-bis(prop-2-enyl)thiourea SMILES: C=CCNC(=S)NCC=C

PubChem CID 3034186
CAS 6601-20-3
Molecular Weight (g/mol) 156.247
MDL Number MFCD00014945
SMILES C=CCNC(=S)NCC=C
Synonym 1,3-diallylthiourea,1,3-diallyl-2-thiourea,diallylthiourea,n,n'-diallylthiourea,bisallylthiocarbamide,n,n'-bis-allylthiourea,thiourea, n,n'-di-2-propenyl,thiourea, n,n'-di-2-propen-1-yl,1,3-bis prop-2-en-1-yl thiourea,1,3-bis prop-2-enyl thiourea
IUPAC Name 1,3-bis(prop-2-enyl)thiourea
InChI Key DZZWKUMHMSNBSG-UHFFFAOYSA-N
Molecular Formula C7H12N2S
11

Piperidine-1-thiocarboxamide, 98%, Thermo Scientific™

CAS: 14294-09-8 Molecular Formula: C6H12N2S Molecular Weight (g/mol): 144.236 MDL Number: MFCD00041230 InChI Key: UERQMZVFUXRQOD-UHFFFAOYSA-N Synonym: 1-piperidinethiocarboxamide,1-piperidinecarbothioamide,aminopiperidylmethane-1-thione,acmc-20aos3,piperidine thiocarboxamide,1-thiocarbamyl piperidine,1-piperidinethiocarboximide,1-piperi-dinecarbothioamide,piperidine-1-thiocarboxamide,1-piperidinecarbothioamide # PubChem CID: 1551232 IUPAC Name: piperidine-1-carbothioamide SMILES: C1CCN(CC1)C(=S)N

PubChem CID 1551232
CAS 14294-09-8
Molecular Weight (g/mol) 144.236
MDL Number MFCD00041230
SMILES C1CCN(CC1)C(=S)N
Synonym 1-piperidinethiocarboxamide,1-piperidinecarbothioamide,aminopiperidylmethane-1-thione,acmc-20aos3,piperidine thiocarboxamide,1-thiocarbamyl piperidine,1-piperidinethiocarboximide,1-piperi-dinecarbothioamide,piperidine-1-thiocarboxamide,1-piperidinecarbothioamide #
IUPAC Name piperidine-1-carbothioamide
InChI Key UERQMZVFUXRQOD-UHFFFAOYSA-N
Molecular Formula C6H12N2S
12

N-(tert-Butyl)thiourea, 97%, Thermo Scientific Chemicals

CAS: 7204-48-0 Molecular Formula: C5H12N2S Molecular Weight (g/mol): 132.23 MDL Number: MFCD00041192 InChI Key: RYOCWONLFFPYMN-UHFFFAOYSA-N Synonym: 1-tert-butyl-2-thiourea,1-tert-butylthiourea,n-tert-butyl thiourea,tert-butyl-thiourea,1-tert-butyl thiourea,t-butylthiourea,n-tertbutylthiourea,tert-butyl thiourea,n-t-butyl thiourea,acmc-1bb93 PubChem CID: 737374 IUPAC Name: tert-butylthiourea SMILES: CC(C)(C)NC(N)=S

PubChem CID 737374
CAS 7204-48-0
Molecular Weight (g/mol) 132.23
MDL Number MFCD00041192
SMILES CC(C)(C)NC(N)=S
Synonym 1-tert-butyl-2-thiourea,1-tert-butylthiourea,n-tert-butyl thiourea,tert-butyl-thiourea,1-tert-butyl thiourea,t-butylthiourea,n-tertbutylthiourea,tert-butyl thiourea,n-t-butyl thiourea,acmc-1bb93
IUPAC Name tert-butylthiourea
InChI Key RYOCWONLFFPYMN-UHFFFAOYSA-N
Molecular Formula C5H12N2S
13

N-(2-Phenylethyl)thiourea, 97%, Thermo Scientific™

CAS: 6815-00-5 Molecular Formula: C9H12N2S Molecular Weight (g/mol): 180.269 MDL Number: MFCD00041194 InChI Key: OFVGPHQYOCKLLM-UHFFFAOYSA-N Synonym: phenethylthiourea,2-phenylethyl thiourea,n-phenethylthiourea,n-2-phenylethyl thiourea,phenethyl-thiourea,1-phenethylthiourea,n-2-phenylethyl thioformamide,1-2-phenylethyl thiourea,amino 2-phenylethyl amino methane-1-thione,3-phenethylthiourea PubChem CID: 735845 IUPAC Name: 2-phenylethylthiourea SMILES: C1=CC=C(C=C1)CCNC(=S)N

PubChem CID 735845
CAS 6815-00-5
Molecular Weight (g/mol) 180.269
MDL Number MFCD00041194
SMILES C1=CC=C(C=C1)CCNC(=S)N
Synonym phenethylthiourea,2-phenylethyl thiourea,n-phenethylthiourea,n-2-phenylethyl thiourea,phenethyl-thiourea,1-phenethylthiourea,n-2-phenylethyl thioformamide,1-2-phenylethyl thiourea,amino 2-phenylethyl amino methane-1-thione,3-phenethylthiourea
IUPAC Name 2-phenylethylthiourea
InChI Key OFVGPHQYOCKLLM-UHFFFAOYSA-N
Molecular Formula C9H12N2S
14

6-Methoxymethyl-2-thiouracil, 98%, Thermo Scientific™

CAS: 175205-07-9 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00052620 InChI Key: YNVMVIUSRGXSEN-UHFFFAOYSA-N Synonym: 2-mercapto-6-methoxymethyl pyrimidin-4-ol,4-hydroxy-6-methoxymethylpyrimidine-2-thiol,6-methoxymethyl-2-sulfanylpyrimidin-4-ol,6-methoxymethyl-2-sulfanyl-4-pyrimidinol,6-methoxymethyl-2-thiouracil,methoxymethylsulfanylpyrimidinol,6-methoxymethyl-2-sulfanylidene-1h-pyrimidin-4-one,2-mercapto-6-methoxymethyl-pyrimidin-4-ol,4 1h-pyrimidinone,2,3-dihydro-6-methoxymethyl-2-thioxo,6-methoxymethyl-2-sulfanylidene-1,3-dihydropyrimidin-4-one PubChem CID: 704896 IUPAC Name: 6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one SMILES: COCC1=CC(=O)NC(=S)N1

PubChem CID 704896
CAS 175205-07-9
Molecular Weight (g/mol) 172.20
MDL Number MFCD00052620
SMILES COCC1=CC(=O)NC(=S)N1
Synonym 2-mercapto-6-methoxymethyl pyrimidin-4-ol,4-hydroxy-6-methoxymethylpyrimidine-2-thiol,6-methoxymethyl-2-sulfanylpyrimidin-4-ol,6-methoxymethyl-2-sulfanyl-4-pyrimidinol,6-methoxymethyl-2-thiouracil,methoxymethylsulfanylpyrimidinol,6-methoxymethyl-2-sulfanylidene-1h-pyrimidin-4-one,2-mercapto-6-methoxymethyl-pyrimidin-4-ol,4 1h-pyrimidinone,2,3-dihydro-6-methoxymethyl-2-thioxo,6-methoxymethyl-2-sulfanylidene-1,3-dihydropyrimidin-4-one
IUPAC Name 6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI Key YNVMVIUSRGXSEN-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
15

N-(1-Naphthyl)thiourea, 97%, Thermo Scientific™

CAS: 86-88-4 Molecular Formula: C11H10N2S Molecular Weight (g/mol): 202.275 MDL Number: MFCD00041824 InChI Key: PIVQQUNOTICCSA-UHFFFAOYSA-N Synonym: 1-1-naphthyl-2-thiourea,antu,1-naphthylthiourea,dirax,anturat,rattrack,smeesana,alrato,bantu,kripid PubChem CID: 736366 ChEBI: CHEBI:82256 IUPAC Name: naphthalen-1-ylthiourea SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=S)N

PubChem CID 736366
CAS 86-88-4
Molecular Weight (g/mol) 202.275
ChEBI CHEBI:82256
MDL Number MFCD00041824
SMILES C1=CC=C2C(=C1)C=CC=C2NC(=S)N
Synonym 1-1-naphthyl-2-thiourea,antu,1-naphthylthiourea,dirax,anturat,rattrack,smeesana,alrato,bantu,kripid
IUPAC Name naphthalen-1-ylthiourea
InChI Key PIVQQUNOTICCSA-UHFFFAOYSA-N
Molecular Formula C11H10N2S