3-Methylthiophene-2-carbonitrile
Properties
- Molecular formula
- C6H5NS
- Molar mass
- 123.17 g/mol
- Exact mass
- 123.0143 Da
- logP
- 1.93Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled20% of notifiers
- H301 Toxic if swallowed80% of notifiers
- H312 Harmful in contact with skin80% of notifiers
- H315 Causes skin irritation20% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H332 Harmful if inhaled80% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
55406-13-8SMILES
CC1=C(SC=C1)C#NInChIKey
ALZHYEITUZEZMT-UHFFFAOYSA-NInChI
InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Methylthiophene-2-carbonitrile
Similar compounds
3-Bromo-2-thiophenecarbonitrile18791-98-552 % similar
2-Chloro-3-methylthiophene14345-97-246 % similar
2,3-Dimethylthiophene632-16-644 % similar
2,5-Dimethylbenzonitrile13730-09-142 % similar
2-Bromo-3-methylthiophene14282-76-941 % similar
2-Methylbenzonitrile529-19-141 % similar
2,6-Dimethylbenzonitrile6575-13-941 % similar
2,4-Dimethylbenzonitrile21789-36-641 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.