1H-2,3-Benzothiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide
Basic information
- CAS
31846-46-5- Standard SMILES
CC(C)N1C(=O)c2ccccc2CS1(=O)=O- InChIKey
JIQOPFIEDZPLQT-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide
- IUPAC
- 2,2-dioxo-3-propan-2-yl-1H-2λ6,3-benzothiazin-4-one
- English name
- 3,4-Dihydro-3-isopropyl-4-oxo-1H-2,3-benzothiazine 2,2-dioxide
- Molecular formula
- C11H13NO3S
- Molecular weight
- 239.29
Names & synonyms
31846-46-5BRN 06542321H-2,3-Benzothiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide3-Isopropyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxideDTXSID60185706RefChem:237260DTXCID601081973-(Propan-2-yl)-2lambda~6~,3-benzothiazine-2,2,4(1H,3H)-trione1H-2,3-Benzothiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide3,4-Dihydro-3-isopropyl-4-oxo-1H-2,3-benzothiazine 2,2-dioxide
Database identifiers
- CAS
31846-46-5- PubChem CID
- 208253
- DTXSID
DTXSID60185706
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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