2-Amino-4-chlorothiophenol

C₆H₆ClNSCAS 1004-00-8159.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Thiol

Properties

Molecular formula: C₆H₆ClNS
Molar mass: 159.63 g/mol
Exact mass: 158.9909 Da
logP: 2.21Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

1004-00-8

SMILES

C1=CC(=C(C=C1Cl)N)S

InChIKey

NGIRMPARLVGMPX-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2

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

Names and synonyms

1 names

2-Amino-4-chlorobenzenethiol

Work with 2-Amino-4-chlorothiophenol

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

4-Chloro-1,2-phenylenediamine95-83-060 % similar 2,4-Dichlorobenzenethiol1122-41-456 % similar 2,5-Dichloroaniline95-82-956 % similar 5-Chloro-2-fluoroaniline2106-05-052 % similar 5-Chloro-2-iodobenzenamine6828-35-952 % similar 2-Bromo-5-chlorobenzenamine823-57-452 % similar 5-Chloro-2-methylaniline95-79-452 % similar 2-Amino-4-chlorophenol95-85-252 % similar

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

Elsewhere

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