N-(4-methylphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine
Basic information
- CAS
52444-77-6- Standard SMILES
CSc1ssc(=Nc2ccc(C)cc2)c1-c1ccccc1- InChIKey
HHRMXTRAXRVIIR-UHFFFAOYSA-N- Molecular formula
- C17H15NS3
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.036663
Names & identifiers
- Preferred name
- N-(4-methylphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine
- IUPAC
- N-(4-methylphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine
Names & synonyms
52444-77-6N-(4-methylphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imineNSC148491CCG-239749NSC-148491
Database identifiers
- CAS
52444-77-6- PubChem CID
- 288065
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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