Basic information
- CAS
66252-23-1- Standard SMILES
CC(=O)N1C(c2ccccc2)=C(C)Sc2ccccc21- InChIKey
UJXUXTZAHHQWLZ-UHFFFAOYSA-N- Molecular formula
- C17H15NOS
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.08743528
Names & identifiers
- Preferred name
- 1-(2-Methyl-3-phenyl-4H-1,4-benzothiazin-4-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-3-phenyl-1,4-benzothiazin-4-yl)ethanone
Names & synonyms
66252-23-1DTXSID604951951-(2-Methyl-3-phenyl-4H-1,4-benzothiazin-4-yl)ethan-1-oneRefChem:223705DTXCID00446005
Database identifiers
- CAS
66252-23-1- PubChem CID
- 12377519
- DTXSID
DTXSID60495195
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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