2-Aminobenzenethiol

AlkaPlorer ID: AK086897

Synonym: o-Aminophenyl mercaptan, o-Aminothiophenol, o-Mercaptoaniline 

IUPAC Name: 2-aminobenzenethiol

Structure

SMILES: NC1=CC=CC=C1S

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InChI: InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

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InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N

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Reference

PubChem CID: 8713

CAS: 137-07-5

NPASS: NPC325937

COCONUT: CNP0083879

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 125.19599999999998

TPSA: 26.02

MolLogP: 1.5575

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Thiopurine S-methyltransferase Km 2500.0 nM 10.1021/jm00153a009

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014705 C[SAH].Nc1ccccc1S>>CSc1ccccc1N enzymemap_27612