Basic information
- CAS
65019-64-9- Standard SMILES
CSC(SC)=C(C(=O)c1ccccc1)S(C)(=O)=O- InChIKey
IKBREYKPDSQWTE-UHFFFAOYSA-N- Molecular formula
- C12H14O3S3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.01050782
Names & identifiers
- Preferred name
- 2-(Methanesulfonyl)-3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one
- IUPAC
- 3,3-bis(methylsulfanyl)-2-methylsulfonyl-1-phenylprop-2-en-1-one
Names & synonyms
65019-64-9DTXSID807939632-(Methanesulfonyl)-3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one
Database identifiers
- CAS
65019-64-9- PubChem CID
- 71371007
- DTXSID
DTXSID80793963
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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