(3-Methyl-2-thienyl)methylamine

C₆H₉NSCAS 104163-35-1127.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₉NS
Molar mass: 127.20 g/mol
Exact mass: 127.0456 Da
logP: 1.52Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

104163-35-1

SMILES

CC1=C(SC=C1)CN

InChIKey

SWZNXCABBUKIPZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

(3-Methylthiophen-2-yl)methanamine

Work with (3-Methyl-2-thienyl)methylamine

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

2,3-Dimethylthiophene632-16-644 % similar 2-Bromo-3-methylthiophene14282-76-941 % similar 2-Chloro-3-methylthiophene14345-97-241 % similar 2-Methylbenzylamine89-93-040 % similar 3,4-Dimethylbenzenemethanamine102-48-739 % similar 3-Methylthiophene-2-boronic acid177735-09-038 % similar 3-Methylthiophene-2-carbonitrile55406-13-838 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-238 % similar

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

Same formula

2,4,5-Trimethylthiazole13623-11-5 2-Ethyl-4-methyl thiazole15679-12-6 2-Propylthiazole17626-75-4 Thiopheneethanamine30433-91-1 Cyclopentyl isothiocyanate33522-03-1 2-(3-Thienyl)ethanamine59311-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook