1-Methyl-2-[tris[(2-methylphenyl)sulfanyl]methylsulfanyl]benzene
Basic information
- CAS
42166-14-3- Standard SMILES
Cc1ccccc1SC(Sc1ccccc1C)(Sc1ccccc1C)Sc1ccccc1C- InChIKey
MLJYVHMHTZWIKE-UHFFFAOYSA-N- Molecular formula
- C29H28S4
- Average molar mass
- 504.8 g/mol
- Monoisotopic mass
- 504.10738559
Names & identifiers
- Preferred name
- 1-Methyl-2-[tris[(2-methylphenyl)sulfanyl]methylsulfanyl]benzene
- IUPAC
- 1-methyl-2-[tris[(2-methylphenyl)sulfanyl]methylsulfanyl]benzene
Names & synonyms
42166-14-3NSC2294421-methyl-2-[tris[(2-methylphenyl)sulfanyl]methylsulfanyl]benzeneDTXSID80310634NSC-2294421,1',1'',1'''-[Methanetetrayltetrakis(sulfanediyl)]tetrakis(2-methylbenzene)
Database identifiers
- CAS
42166-14-3- PubChem CID
- 313780
- DTXSID
DTXSID80310634
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…