Basic information
- Standard SMILES
CC(=O)c1ccc2c(c1)SC(C)(C)S2- InChIKey
WTOIRCULZMRYSN-UHFFFAOYSA-N- Molecular formula
- C11H12OS2
- Average molar mass
- 224.3 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1,3-benzodithiol-5-yl methyl ketone
- IUPAC
- 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethanone
Names & synonyms
SCHEMBL9144031WTOIRCULZMRYSN-UHFFFAOYSA-N2,2-dimethyl-1,3-benzodithiol-5-yl methyl ketone
Database identifiers
- PubChem CID
- 19935478
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
9 records
Compound notes
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