Basic information
- Standard SMILES
CSCCS(=O)(=O)c1ccccc1- InChIKey
JOPRNHMUJAACRV-UHFFFAOYSA-N- Molecular formula
- C9H12O2S2
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.02787197
Names & identifiers
- Preferred name
- Methyl 2-phenylsulfonylethyl sulfide
- IUPAC
- 2-methylsulfanylethylsulfonylbenzene
Names & synonyms
SCHEMBL402822JOPRNHMUJAACRV-UHFFFAOYSA-Nmethyl 2-phenylsulfonylethyl sulfide
Database identifiers
- PubChem CID
- 52869203
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
2 records
Compound notes
Loading…