Phenyl 2-mercaptobenzoate

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Basic information

CAS: 15570-18-0
Standard SMILES: O=C(Oc1ccccc1)c1ccccc1S
InChIKey: VPYKTMHVSTXCMB-UHFFFAOYSA-N
Molecular formula: C13H10O2S
Average molar mass: 230.28 g/mol
Monoisotopic mass: 230.04015073

Names & identifiers

Preferred name: Phenyl 2-mercaptobenzoate
IUPAC: phenyl 2-sulfanylbenzoate
English name: phenyl 2-mercaptobenzoate
Molecular formula: C13H10O2S
Molecular weight: 230.28

Names & synonyms

Phenyl 2-mercaptobenzoate15570-18-0EINECS 239-618-2DTXSID30165954RefChem:172935DTXCID7088445239-618-2phenyl 2-sulfanylbenzoateBenzoic acid, 2-mercapto-, phenyl esterphenyl thiosalicylateSCHEMBL943555SCHEMBL7208840

Show more names

2-Mercaptobenzoic acid phenyl ester

NS00025058

Database identifiers

CAS: 15570-18-0
PubChem CID: 84990
DTXSID: DTXSID30165954
EC Number: 239-618-2
Nikkaji: J317.910I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 27.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 236

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Benzoic acid, 2,2'-dithiobis-, diphenyl ester (9CI)

Related reactions

2 records

New reaction record

HRID 693936As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1086527As productuspto-grants-1991_07

Compound notes

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