Basic information
- CAS
80839-02-7- Standard SMILES
CC1=CS(=O)c2ccccc2N1C- InChIKey
KYLPGWJMZUPDQK-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1lambda4,4-benzothiazine 1-oxide
- IUPAC
- 3,4-dimethyl-1λ4,4-benzothiazine 1-oxide
Names & synonyms
NSC35714080839-02-7DTXSID30320283NSC-3571403,4-Dimethyl-1lambda~4~,4-benzothiazin-1(4H)-one
Database identifiers
- CAS
80839-02-7- PubChem CID
- 337803
- DTXSID
DTXSID30320283
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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