1,1',1'',1''',1'''',1'''''-(Benzene-1,2,3,4,5,6-hexaylhexasulfanediyl)hexabenzene
Basic information
- CAS
61040-42-4- Standard SMILES
c1ccc(Sc2c(Sc3ccccc3)c(Sc3ccccc3)c(Sc3ccccc3)c(Sc3ccccc3)c2Sc2ccccc2)cc1- InChIKey
BOAQYZYOCBRFEV-UHFFFAOYSA-N- Molecular formula
- C42H30S6
- Average molar mass
- 727.1 g/mol
- Monoisotopic mass
- 726.067178
Names & identifiers
- Preferred name
- 1,1',1'',1''',1'''',1'''''-(Benzene-1,2,3,4,5,6-hexaylhexasulfanediyl)hexabenzene
- IUPAC
- 1,2,3,4,5,6-hexakis(phenylsulfanyl)benzene
Names & synonyms
61040-42-4DTXSID903131111,1',1'',1''',1'''',1'''''-(Benzene-1,2,3,4,5,6-hexaylhexasulfanediyl)hexabenzeneRefChem:211766DTXCID90264235Hexakis(phenylthio)benzene1,2,3,4,5,6-hexakis(phenylsulfanyl)benzeneNSC266269hexakisphenylthiobenzene1,2,3,4,5,6-hexakis(phenylthio)benzeneSCHEMBL8723876AKOS024428212
Show more names
NSC-2662691,1',1'',1''',1'''',1'''''-[Benzene-1,2,3,4,5,6-hexaylhexakis(sulfanediyl)]hexabenzene
Database identifiers
- CAS
61040-42-4- PubChem CID
- 320089
- DTXSID
DTXSID90313111- Nikkaji
- J835.787K
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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