Basic information
- CAS
13224-86-7- Standard SMILES
O=C(O)c1c(Sc2ccccc2)cccc1Sc1ccccc1- InChIKey
GYTLFXNSVIMCLS-UHFFFAOYSA-N- Molecular formula
- C19H14O2S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.04352203
Names & identifiers
- Preferred name
- 2,6-Bis(phenylsulfanyl)benzoic acid
- IUPAC
- 2,6-bis(phenylsulfanyl)benzoic acid
Names & synonyms
13224-86-72,6-bis(phenylsulfanyl)benzoic acidNSC156505DTXSID30303071NSC-156505
Database identifiers
- CAS
13224-86-7- PubChem CID
- 291323
- DTXSID
DTXSID30303071
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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