Thiopheneethanamine

C₆H₉NSCAS 30433-91-1127.20 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₆H₉NS
Molar mass: 127.20 g/mol
Exact mass: 127.0456 Da
Density: 1.087 g/mL (at 15 °C)
Melting point: 202 °C
Boiling point: 200–201 °C (at 750 Torr)
logP: 1.25Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed87.2% of notifiers
H312 Harmful in contact with skin85.1% of notifiers
H314 Causes severe skin burns and eye damage14.9% of notifiers
H315 Causes skin irritation85.1% of notifiers
H319 Causes serious eye irritation85.1% of notifiers
H332 Harmful if inhaled85.1% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

30433-91-1

SMILES

NCCc1cccs1

InChIKey

HVLUYXIJZLDNIS-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2

Weigh it out

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

Names and synonyms

14 names · show all

2-Thiopheneethanamine
2-Thiopheneethylamine
2-(2-Thienyl)ethylamine
2-(2-Aminoethyl)thiophene
2-(2-Thienyl)ethanamine
β-(2-Thienyl)ethylamine
2-(Thiophen-2-yl)ethylamine
2-(2-Thiophene)ethylamine
[2-(Thiophene-2-yl)ethyl]amine
2-(2-Thienyl)-1-ethanamine
2-(Thiophen-2-yl)ethanamine
2-Thienylethylamine
2-Thienoethylamine
2-(Thiophen-2-yl)ethan-1-amine

Work with Thiopheneethanamine

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-Thiophenemethanamine27757-85-360 % similar 2-Propylthiophene1551-27-556 % similar 2-Thiopheneethanol5402-55-156 % similar 2-Butylthiophene1455-20-552 % similar 2-Pentylthiophene4861-58-950 % similar 2-Hexylthiophene18794-77-948 % similar 2-Octylthiophene880-36-448 % similar 2-Thiophenemethanethiol6258-63-548 % 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 Cyclopentyl isothiocyanate33522-03-1 2-(3-Thienyl)ethanamine59311-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook