Basic information
- CAS
112519-52-5- Standard SMILES
CS(=O)(=O)c1cc(=O)c2ccccc2s1- InChIKey
OOJMVHRMWQYPHX-UHFFFAOYSA-N- Molecular formula
- C10H8O3S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 239.99148646
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
- IUPAC
- 2-methylsulfonylthiochromen-4-one
Names & synonyms
4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-112519-52-5DTXSID60326930RefChem:297439DTXCID80278043NSC622282CHEMBL1968667NSC-622282NCI60_0064772-(Methanesulfonyl)-4H-1-benzothiopyran-4-one
Database identifiers
- CAS
112519-52-5- PubChem CID
- 360260
- DTXSID
DTXSID60326930- ChEMBL
CHEMBL1968667
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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