2-(3-Thienyl)ethanamine

C₆H₉NSCAS 59311-67-0127.20 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₆H₉NS
Molar mass: 127.20 g/mol
Exact mass: 127.0456 Da
logP: 1.25Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

59311-67-0

SMILES

C1=CSC=C1CCN

InChIKey

OANLWIQYRRVBPY-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2

Weigh it out

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

Work with 2-(3-Thienyl)ethanamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(Thiophen-3-yl)ethan-1-amine hydrochloride34843-84-0Salt

Similar compounds

3-Thiophenemethanamine27757-86-460 % similar 3-Thiopheneethanol13781-67-456 % similar 3-Butylthiophene34722-01-552 % similar Poly(3-hexylthiophene)104934-50-148 % similar 3-Dodecylthiophene104934-52-348 % similar 3-N-Octadecylthiophene104934-54-548 % similar 3-Tetradecylthiophene110851-66-648 % similar 3-Hexadecylthiophene119269-24-848 % similar

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

Same formula

(3-Methyl-2-thienyl)methylamine104163-35-1 2,4,5-Trimethylthiazole13623-11-5 2-Ethyl-4-methyl thiazole15679-12-6 2-Propylthiazole17626-75-4 Thiopheneethanamine30433-91-1 Cyclopentyl isothiocyanate33522-03-1

Elsewhere

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