Basic information
- Standard SMILES
COc1cc(OC)cc(C2(C3CCCCC3)SCCS2)c1- InChIKey
QARUVFJDEOPCSV-UHFFFAOYSA-N- Molecular formula
- C17H24O2S2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.12177235
Names & identifiers
- Preferred name
- 2-Cyclohexyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane
- IUPAC
- 2-cyclohexyl-2-(3,5-dimethoxyphenyl)-1,3-dithiolane
Names & synonyms
SCHEMBL1038118QARUVFJDEOPCSV-UHFFFAOYSA-N2-Cyclohexyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane
Database identifiers
- PubChem CID
- 85884091
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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