4-Thiophen-2-ylphenylamine

C₁₀H₉NSCAS 70010-48-9175.25 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₉NS
Molar mass: 175.25 g/mol
Exact mass: 175.0456 Da
logP: 3.00Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

70010-48-9

SMILES

C1=CSC(=C1)C2=CC=C(C=C2)N

InChIKey

WPNWHSQJRALLBJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H,11H2

Weigh it out

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

Names and synonyms

1 names

4-(Thiophen-2-yl)aniline

Work with 4-Thiophen-2-ylphenylamine

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-Phenylthiophene825-55-860 % similar 2-(4-Fluorophenyl)thiophene58861-48-657 % similar 2,2′-Bithiophene492-97-752 % similar 2-(4-Methoxyphenyl)thiophene42545-43-752 % similar 4,4''-Diaminoterphenyl3365-85-348 % similar Benzidine92-87-548 % similar 4-(Thiophen-2-yl)benzoic acid29886-62-247 % similar 4-Amino-P-terphenyl7293-45-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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