4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1,1-dioxide
Basic information
- CAS
16723-50-5- Standard SMILES
CC1CS(=O)(=O)c2ccccc2C1=O- InChIKey
RYBZBWQHLZSAGB-UHFFFAOYSA-N- Molecular formula
- C10H10O3S
- Average molar mass
- 210.25 g/mol
- Monoisotopic mass
- 210.03506535
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1,1-dioxide
- IUPAC
- 3-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
- English name
- 3,4-Dihydro-3-methyl-4-oxo-2H-1-benzothiopyran 1,1-dioxide
- Molecular formula
- C10H10O3S
- Molecular weight
- 210.25
Names & synonyms
16723-50-54H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1,1-dioxideDTXSID20340990RefChem:297436DTXCID702920713-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one3-methylthiochroman-4-one 1,1-dioxideThiochroman-4-one, 3-methyl-, 1,1-dioxideRYBZBWQHLZSAGB-UHFFFAOYSA-NAO-800/410696473-Methyl-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide3-Methyl-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide #
Show more names
3,4-Dihydro-3-methyl-4-oxo-2H-1-benzothiopyran 1,1-dioxide
3-Methyl-2,3-dihydro-1lambda~6~-benzothiopyran-1,1,4-trione3-METHYL-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE
Database identifiers
- CAS
16723-50-5- PubChem CID
- 569043
- DTXSID
DTXSID20340990
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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