4-Hydroxy-3-sulfanylbenzoic acid

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Basic information

CAS: 59780-96-0
Standard SMILES: O=C(O)c1ccc(O)c(S)c1
InChIKey: QZIPTEUHXMBARA-UHFFFAOYSA-N
Molecular formula: C7H6O3S
Average molar mass: 170.19 g/mol
Monoisotopic mass: 170.00376522

Names & identifiers

Preferred name: 4-Hydroxy-3-sulfanylbenzoic acid
IUPAC: 4-hydroxy-3-sulfanylbenzoic acid

Names & synonyms

59780-96-04-hydroxy-3-sulfanylbenzoic acid3-Mercapto-4-Hydroxybenzoic acid4-hydroxy-3-sulfanyl-benzoic acidNSC281309SCHEMBL10962365DTXSID40314214QZIPTEUHXMBARA-UHFFFAOYSA-NNSC-281309DS-015171

Database identifiers

CAS: 59780-96-0
PubChem CID: 322904
DTXSID: DTXSID40314214

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 58.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Related reactions

1 records

New reaction record

HRID 464755As reactantuspto-grants-1985_10

Compound notes

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