1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one
Basic information
- CAS
92608-29-2- Standard SMILES
CC(=O)C1=CN(C)c2ccccc2S1- InChIKey
WFTAGGLAWSTHDP-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one
- IUPAC
- 1-(4-methyl-1,4-benzothiazin-2-yl)ethanone
Names & synonyms
92608-29-2DTXSID103202811-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-oneRefChem:225417DTXCID90271404NSC357138NSC-357138
Database identifiers
- CAS
92608-29-2- PubChem CID
- 337801
- DTXSID
DTXSID10320281
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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