2-Amino-5-methyl-3-thiophenecarbonitrile

C₆H₆N₂SCAS 138564-58-6138.19 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₆H₆N₂S
Molar mass: 138.19 g/mol
Exact mass: 138.0252 Da
logP: 1.51Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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

138564-58-6

SMILES

Cc1cc(C#N)c(N)s1

InChIKey

YGXADLPRHBRTPG-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

3-Thiophenecarbonitrile, 2-amino-5-methyl-
2-Amino-3-cyano-5-methylthiophene

Work with 2-Amino-5-methyl-3-thiophenecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminothiophene-3-carbonitrile4651-82-542 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-140 % similar 2,5-Diamino-3,4-dicyanothiophene17989-89-840 % similar 2-Amino-4-methylbenzonitrile26830-96-639 % similar 5-Amino-2-methylbenzonitrile50670-64-939 % similar 2-Amino-5-methylbenzonitrile5925-93-939 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-337 % similar 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile138564-59-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Pyridinecarbothioamide2196-13-6 Thionicotinamide4621-66-3 Pyridine-2-carbothioamide5346-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook