3-Methyl-5-phenyl-1lambda~4~,2-dithiole
Basic information
- CAS
37344-00-6- Standard SMILES
Cc1cc(-c2ccccc2)[s+]s1- InChIKey
AUWONZJNWKWZBI-UHFFFAOYSA-N- Molecular formula
- C10H9S2+
- Average molar mass
- 193.3 g/mol
- Monoisotopic mass
- 193.01456763
Names & identifiers
- Preferred name
- 3-Methyl-5-phenyl-1lambda~4~,2-dithiole
- IUPAC
- 3-methyl-5-phenyldithiol-1-ium
Names & synonyms
NSC185349NSC2905053-Methyl-5-phenyl-1lambda~4~,2-dithiole3-methyl-5-phenyl-dithiol-1-ium
Database identifiers
- CAS
37344-00-6- PubChem CID
- 500017
- Nikkaji
- J411.661E
Properties
Computed structural properties
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 141
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Compound notes
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