3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid
Basic information
- CAS
1234-18-0- Standard SMILES
O=C(O)c1cccc(SS(=O)(=O)c2cccc(C(=O)O)c2)c1- InChIKey
ZLXBDOQCIJHJQV-UHFFFAOYSA-N- Molecular formula
- C14H10O6S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 337.99188038
Names & identifiers
- Preferred name
- 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid
- IUPAC
- 3-(3-carboxyphenyl)sulfonylsulfanylbenzoic acid
Names & synonyms
1234-18-03-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acidNSC 3420153-{[(3-Carboxyphenyl)sulfonyl]thio}benzoic acidNSC342015NSC-3420153-(3-carboxyphenyl)sulfonylsulfanylbenzoic acidCHEMBL119983SZ5E435VM3DTXSID10154003DS-007167Benzoic acid, m-thiosulfo-, S-m-carboxyphenyl ester
Show more names
3-[(3-Carboxybenzene-1-sulfonyl)sulfanyl]benzoic acidBenzoic acid, 3-[[(3-carboxyphenyl)sulfonyl]thio]-Benzoic acid,3-[[(3-carboxyphenyl)sulfonyl]thio]-(9ci)
Database identifiers
- CAS
1234-18-0- PubChem CID
- 334892
- DTXSID
DTXSID10154003- ChEMBL
CHEMBL119983- UNII
- SZ5E435VM3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…