2-(Phenylthio)acetonitrile
Properties
- Molecular formula
- C8H7NS
- Molar mass
- 149.21 g/mol
- Exact mass
- 149.0299 Da
- Boiling point
- 146–147 °C (at 14 Torr)
- logP
- 2.30Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
5219-61-4SMILES
N#CCSc1ccccc1InChIKey
QMJWPWCKRKHUNY-UHFFFAOYSA-NInChI
InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Acetonitrile, 2-(phenylthio)-
- Acetonitrile, (phenylthio)-
- (Phenylthio)acetonitrile
- Cyanomethyl phenyl sulfide
- 2-(Phenylsulfanyl)acetonitrile
Work with 2-(Phenylthio)acetonitrile
Similar compounds
(4-Chlorophenylthio)acetonitrile18527-19-063 % similar
(4-Fluorophenylthio)acetonitrile18527-21-463 % similar
1,1′-[Methylenebis(thio)]bis[benzene]3561-67-952 % similar
1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-852 % similar
Ethyl phenyl sulfide622-38-852 % similar
Chloromethyl phenyl sulphide7205-91-646 % similar
Benzyl phenyl sulfide831-91-446 % similar
(Phenylthio)acetic acid103-04-843 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.