1,4-Dimethyl-2-((4-methylphenyl)(phenyl)-lambda(4)-sulfanyl)benzene
Basic information
- CAS
4024-11-7- Standard SMILES
Cc1ccc([S+](c2ccccc2)c2cc(C)ccc2C)cc1- InChIKey
VZUUNOYQXCOPLT-UHFFFAOYSA-N- Molecular formula
- C21H21S+
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.13639684
Names & identifiers
- Preferred name
- 1,4-Dimethyl-2-((4-methylphenyl)(phenyl)-lambda(4)-sulfanyl)benzene
- IUPAC
- (2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium
Names & synonyms
NSC 1166924024-11-71,4-Dimethyl-2-((4-methylphenyl)(phenyl)-lambda(4)-sulfanyl)benzeneNSC116692CHEMBL2009597NCI60_000382(2,5-dimethylphenyl)-phenyl-(p-tolyl)sulfonium1,4-Dimethyl-2-((4-methylphenyl)(phenyl)-lambda~4~-sulfanyl)benzene
Database identifiers
- CAS
4024-11-7- PubChem CID
- 498097
- ChEMBL
CHEMBL2009597
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 325
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Compound notes
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