2-(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 skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
6609-54-7SMILES
CSC1=CC=CC=C1C#NInChIKey
PXZSANDJGNKIIA-UHFFFAOYSA-NInChI
InChI=1S/C8H7NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-(Methylthio)benzonitrile
Similar compounds
Phthalonitrile91-15-652 % similar
2-Bromothioanisole19614-16-546 % similar
2-Methylbenzonitrile529-19-146 % similar
2-(Methylthio)phenol1073-29-645 % similar
2-Chlorophenyl methyl sulfide17733-22-145 % similar
2-(Methylthio)aniline2987-53-345 % similar
1-Iodo-2-methylsulfanylbenzene33775-94-945 % similar
2-Fluorothioanisole655-20-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.