(4-Fluorophenylthio)acetonitrile
Properties
- Molecular formula
- C8H6FNS
- Molar mass
- 167.20 g/mol
- Exact mass
- 167.0205 Da
- logP
- 2.44Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed20% of notifiers
- H302 Harmful if swallowed80% of notifiers
- H311 Toxic in contact with skin20% of notifiers
- H331 Toxic if inhaled20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
18527-21-4SMILES
C1=CC(=CC=C1F)SCC#NInChIKey
BJFLSPRQCMQITC-UHFFFAOYSA-NInChI
InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (4-Fluorophenylthio)acetonitrile
Similar compounds
2-(Phenylthio)acetonitrile5219-61-463 % similar
(4-Chlorophenylthio)acetonitrile18527-19-060 % similar
(2,4-Difluorophenylthio)acetonitrile175277-63-156 % similar
4-Fluorobenzeneacetonitrile459-22-350 % similar
(4-Fluorophenylthio)propan-2-one2968-13-046 % similar
2-[(4-Fluorophenyl)thio]acetic acid332-51-446 % similar
(4-Fluorobenzenesulfonyl)acetonitrile32083-66-242 % similar
4-Fluoro-β-oxobenzenepropanenitrile4640-67-942 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds