1H-2,3-Benzothiazine, 3,4-dihydro-3-methyl-, 2,2-dioxide
Basic information
- CAS
61199-72-2- Standard SMILES
CN1Cc2ccccc2CS1(=O)=O- InChIKey
QBSMMQVJZNKLQK-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazine, 3,4-dihydro-3-methyl-, 2,2-dioxide
- IUPAC
- 3-methyl-1,4-dihydro-2λ6,3-benzothiazine 2,2-dioxide
Names & synonyms
61199-72-21H-2,3-Benzothiazine, 3,4-dihydro-3-methyl-, 2,2-dioxideDTXSID60342594RefChem:237264DTXCID20293674SCHEMBL10258273QBSMMQVJZNKLQK-UHFFFAOYSA-N3-Methyl-3,4(1H)-dihydro-2,3-benzothiazine 2,2-dioxide3-Methyl-3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxide #3-Methyl-3,4-dihydro-2lambda~6~,3-benzothiazine-2,2(1H)-dione
Database identifiers
- CAS
61199-72-2- PubChem CID
- 583236
- DTXSID
DTXSID60342594
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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