[3-Phenylsulfanyl-2,2-bis(phenylsulfanylmethyl)propyl]sulfanylbenzene
Basic information
- CAS
16873-35-1- Standard SMILES
c1ccc(SCC(CSc2ccccc2)(CSc2ccccc2)CSc2ccccc2)cc1- InChIKey
ANZNWNXVCNWATO-UHFFFAOYSA-N- Molecular formula
- C29H28S4
- Average molar mass
- 504.8 g/mol
- Monoisotopic mass
- 504.10738559
Names & identifiers
- Preferred name
- [3-Phenylsulfanyl-2,2-bis(phenylsulfanylmethyl)propyl]sulfanylbenzene
- IUPAC
- [3-phenylsulfanyl-2,2-bis(phenylsulfanylmethyl)propyl]sulfanylbenzene
Names & synonyms
16873-35-1NSC229443DTXSID40310635NSC-2294431,1'-({2,2-Bis[(phenylsulfanyl)methyl]propane-1,3-diyl}disulfanediyl)dibenzene1,1'-[{2,2-Bis[(phenylsulfanyl)methyl]propane-1,3-diyl}bis(sulfanediyl)]dibenzene
Database identifiers
- CAS
16873-35-1- PubChem CID
- 313781
- DTXSID
DTXSID40310635
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 406
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Related reactions
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Compound notes
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