Hexakis(undecylsulfanyl)benzene
Basic information
- CAS
88416-46-0- Standard SMILES
CCCCCCCCCCCSc1c(SCCCCCCCCCCC)c(SCCCCCCCCCCC)c(SCCCCCCCCCCC)c(SCCCCCCCCCCC)c1SCCCCCCCCCCC- InChIKey
BCQGXMKQPUUPBU-UHFFFAOYSA-N- Molecular formula
- C72H138S6
- Average molar mass
- 1,196.3 g/mol
- Monoisotopic mass
- 1,194.91228144
Names & identifiers
- Preferred name
- Hexakis(undecylsulfanyl)benzene
- IUPAC
- 1,2,3,4,5,6-hexakis(undecylsulfanyl)benzene
Names & synonyms
HEXAKIS(UNDECYLSULFANYL)BENZENE88416-46-0SCHEMBL10691305DTXSID70602954
Database identifiers
- CAS
88416-46-0- PubChem CID
- 20146795
- DTXSID
DTXSID70602954
Properties
Computed structural properties
- XLogP
- 35.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 66
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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