4-(Methylthio)benzonitrile
Properties
- Molecular formula
- C8H7NS
- Molar mass
- 149.21 g/mol
- Exact mass
- 149.0299 Da
- logP
- 2.28Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin90.7% of notifiers
- H315 Causes skin irritation90.7% of notifiers
- H319 Causes serious eye irritation90.7% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation90.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21382-98-9SMILES
CSC1=CC=C(C=C1)C#NInChIKey
RPVGEEHGKIFQFO-UHFFFAOYSA-NInChI
InChI=1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(Methylthio)benzonitrile
Similar compounds
1,4-Dicyanobenzene623-26-757 % similar
Thioanisole100-68-550 % similar
4-Methylbenzonitrile104-85-850 % similar
(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-650 % similar
4-(Trifluoromethylthio)benzonitrile332-26-350 % similar
2-(4-(Methylthio)phenyl)acetonitrile38746-92-850 % similar
Methyl p-tolyl sulfide623-13-246 % similar
Benzonitrile100-47-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.