Basic information
- Standard SMILES
CC(C)(C)c1cc(-c2c(S)ssc2=S)cc(C(C)(C)C)c1O- InChIKey
PZXQUQBQYZTGKJ-UHFFFAOYSA-N- Molecular formula
- C17H22OS4
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.05535002
Names & identifiers
- Preferred name
- 5-Mercapto-4-(3,5-di-t-butyl-4-hydroxyphenyl)-1,2-dithiole-3-thione
- IUPAC
- 4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-sulfanyldithiole-3-thione
Names & synonyms
PZXQUQBQYZTGKJ-UHFFFAOYSA-N5-mercapto-4-(3,5-di-t-butyl-4-hydroxyphenyl)-1,2-dithiole-3-thione
Database identifiers
- PubChem CID
- 21494630
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
3 records
Compound notes
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