Basic information
- CAS
5330-89-2- Standard SMILES
c1ccc(SCCCCSc2ccccc2)cc1- InChIKey
PRYWJRJCDPRFBO-UHFFFAOYSA-N- Molecular formula
- C16H18S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.08499292
Names & identifiers
- Preferred name
- 4-Phenylsulfanylbutylsulfanylbenzene
- IUPAC
- 4-phenylsulfanylbutylsulfanylbenzene
Names & synonyms
4-phenylsulfanylbutylsulfanylbenzene5330-89-21,4-BIS(PHENYLTHIO)BUTANENSC2536{[4-(phenylsulfanyl)butyl]sulfanyl}benzene1-{[4-(phenylsulfanyl)butyl]sulfanyl}benzeneSCHEMBL420011SCHEMBL51955671,4-Bis-(phenylmercapto)butaneDTXSID50277487NSC-2536AKOS005097513
Show more names
6G-417S1,1'-[Butane-1,4-diylbis(sulfanediyl)]dibenzene
Database identifiers
- CAS
5330-89-2- PubChem CID
- 220179
- DTXSID
DTXSID50277487- Nikkaji
- J583.974B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…