Basic information
- Standard SMILES
COc1ccc(C(C)(C)C2SCCS2)cc1- InChIKey
RRSXEXUGULUZJP-UHFFFAOYSA-N- Molecular formula
- C13H18OS2
- Average molar mass
- 254.4 g/mol
Names & identifiers
- Preferred name
- 4-[1-Methyl-1-(1,3-dithiolan-2-yl)ethyl]anisole
- IUPAC
- 2-[2-(4-methoxyphenyl)propan-2-yl]-1,3-dithiolane
Names & synonyms
SCHEMBL7584571RRSXEXUGULUZJP-UHFFFAOYSA-N4-[1-Methyl-1-(1,3-dithiolan-2-yl)ethyl]anisole
Database identifiers
- PubChem CID
- 19066444
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Related reactions
2 records
Compound notes
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