Basic information
- CAS
2974-10-9- Standard SMILES
c1ccc(Sc2cccc(Sc3ccccc3)c2)cc1- InChIKey
FOXSXNJTWXVMEA-UHFFFAOYSA-N- Molecular formula
- C18H14S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.05369279
Names & identifiers
- Preferred name
- Benzene, 1,3-bis(phenylthio)-
- IUPAC
- 1,3-bis(phenylsulfanyl)benzene
- English name
- 1,3-Bis(phenylthio)benzene
- Molecular formula
- C18H14S2
- Molecular weight
- 294.44
Names & synonyms
Benzene, 1,3-bis(phenylthio)-2974-10-9DTXSID2062749RefChem:117294DTXCID40380591,3-bis(phenylthio)benzenem-bis(phenylmercapto)benzenem-bis(phenylmercapto) benzeneSCHEMBL3894071SCHEMBL4448073SCHEMBL44480761,1'-[1,3-Phenylenebis(sulfanediyl)]dibenzene
Database identifiers
- CAS
2974-10-9- PubChem CID
- 76309
- DTXSID
DTXSID2062749- Nikkaji
- J247.324K
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- EPA Substance Registry System
- 1 · Benzene, 1,3-bis(phenylthio)- (2974-10-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-bis(phenylthio)-: INACTIVE
Related reactions
2 records
Compound notes
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