Basic information
- CAS
69270-13-9- Standard SMILES
O=C(O)c1cccc(C(=O)O)c1Sc1ccccc1- InChIKey
ZFJOOERBHLQUTB-UHFFFAOYSA-N- Molecular formula
- C14H10O4S
- Average molar mass
- 274.29 g/mol
- Monoisotopic mass
- 274.02997997
Names & identifiers
- Preferred name
- 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid
- IUPAC
- 2-phenylsulfanylbenzene-1,3-dicarboxylic acid
Names & synonyms
69270-13-92-phenylsulfanylbenzene-1,3-dicarboxylic acidNSC266286SCHEMBL24723588DTXSID00313122NSC-2662862-(Phenylsulfanyl)benzene-1,3-dicarboxylic acid
Database identifiers
- CAS
69270-13-9- PubChem CID
- 320106
- DTXSID
DTXSID00313122
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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