(5-Chlorobenzo[b]thiophen-3-yl)methanamine

C₉H₈ClNSCAS 71625-90-6197.68 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₈ClNS
Molar mass: 197.68 g/mol
Exact mass: 197.0066 Da
logP: 3.01Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

71625-90-6

SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CN

InChIKey

VRNXLYAXYIHHHH-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2

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Names and synonyms

1 names

(5-Chloro-1-benzothiophen-3-yl)methylamine

Work with (5-Chlorobenzo[b]thiophen-3-yl)methanamine

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

3-(Bromomethyl)-5-chlorobenzo[B]thiophene1198-51-266 % similar 5-Chlorobenzo[b]thiophene-3-acetonitrile23799-60-261 % similar 5-Chlorobenzo[b]thiophene-3-acetic acid17266-30-756 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-353 % similar 2,5-Dichlorobenzylamine10541-69-249 % similar 2,4-Dichlorobenzenemethanamine95-00-149 % similar 5-Chloro-2-fluorobenzylamine261723-26-646 % similar 4-Chloro-2-fluorobenzylamine72235-57-546 % similar

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

Same formula

2-(4-Chlorophenethyl) isothicyanate17608-10-5 Thiooxine hydrochloride34006-16-1

Elsewhere

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