Basic information
- Standard SMILES
Cc1ccc(S(=O)(=S)OCCc2ccccc2)cc1- InChIKey
FDZPQUUHLRJKJL-UHFFFAOYSA-N- Molecular formula
- C15H16O2S2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.0591721
Names & identifiers
- Preferred name
- 2-Phenylethyl-p-toluenethiosulfonate
- IUPAC
- (4-methylphenyl)-oxo-(2-phenylethoxy)-sulfanylidene-lambda6-sulfane
Names & synonyms
FDZPQUUHLRJKJL-UHFFFAOYSA-N2-phenylethyl-p-toluenethiosulfonate
Database identifiers
- PubChem CID
- 86753003
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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