Isothiocyanates
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Phenyl isothiocyanate, 98%
CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1
| PubChem CID | 7673 |
|---|---|
| CAS | 103-72-0 |
| Molecular Weight (g/mol) | 135.18 |
| ChEBI | CHEBI:85103 |
| MDL Number | MFCD00004798 |
| SMILES | S=C=NC1=CC=CC=C1 |
| Synonym | phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate |
| IUPAC Name | isothiocyanatobenzene |
| InChI Key | QKFJKGMPGYROCL-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |
Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol
CAS: 57-06-7 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S
| PubChem CID | 5971 |
|---|---|
| CAS | 57-06-7 |
| ChEBI | CHEBI:73224 |
| MDL Number | MFCD00004822 |
| SMILES | C=CCN=C=S |
| Synonym | allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel |
| IUPAC Name | 3-isothiocyanatoprop-1-ene |
| InChI Key | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
p-Phenylene diisothiocyanate, 99%
CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.27 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S
| PubChem CID | 19958 |
|---|---|
| CAS | 4044-65-9 |
| Molecular Weight (g/mol) | 192.27 |
| MDL Number | MFCD00004811 |
| SMILES | C1=CC(=CC=C1N=C=S)N=C=S |
| Synonym | bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate |
| IUPAC Name | 1,4-diisothiocyanatobenzene |
| InChI Key | OMWQUXGVXQELIX-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2S2 |
1-Naphthyl isothiocyanate, 98%
CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.25 MDL Number: MFCD00003882 InChI Key: JBDOSUUXMYMWQH-UHFFFAOYSA-N Synonym: 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester PubChem CID: 11080 ChEBI: CHEBI:35455 IUPAC Name: 1-isothiocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=S
| PubChem CID | 11080 |
|---|---|
| CAS | 551-06-4 |
| Molecular Weight (g/mol) | 185.25 |
| ChEBI | CHEBI:35455 |
| MDL Number | MFCD00003882 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=C=S |
| Synonym | 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester |
| IUPAC Name | 1-isothiocyanatonaphthalene |
| InChI Key | JBDOSUUXMYMWQH-UHFFFAOYSA-N |
| Molecular Formula | C11H7NS |
Ethyl isothiocyanate, 96%
CAS: 542-85-8 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00004820 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S
| PubChem CID | 10966 |
|---|---|
| CAS | 542-85-8 |
| Molecular Weight (g/mol) | 87.14 |
| ChEBI | CHEBI:85098 |
| MDL Number | MFCD00004820 |
| SMILES | CCN=C=S |
| Synonym | ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane |
| IUPAC Name | isothiocyanatoethane |
| InChI Key | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS |
tert-Butyl isothiocyanate, 97%
CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S
| PubChem CID | 11544 |
|---|---|
| CAS | 590-42-1 |
| Molecular Weight (g/mol) | 115.19 |
| MDL Number | MFCD00004816 |
| SMILES | CC(C)(C)N=C=S |
| Synonym | tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate |
| IUPAC Name | 2-isothiocyanato-2-methylpropane |
| InChI Key | ZFWFRTVIIMTOLY-UHFFFAOYSA-N |
| Molecular Formula | C5H9NS |
Phenyl isothiocyanate, 97%
CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1
| PubChem CID | 7673 |
|---|---|
| CAS | 103-72-0 |
| Molecular Weight (g/mol) | 135.18 |
| ChEBI | CHEBI:85103 |
| MDL Number | MFCD00004798 |
| SMILES | S=C=NC1=CC=CC=C1 |
| Synonym | phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate |
| IUPAC Name | isothiocyanatobenzene |
| InChI Key | QKFJKGMPGYROCL-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |