Basic information
- CAS
79253-81-9- Standard SMILES
O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2cc3ccccc3n21- InChIKey
XDDZOORJIBNUDA-UHFFFAOYSA-N- Molecular formula
- C21H15NO3S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.07726451
Names & identifiers
- Preferred name
- 12-Phenyl-12H-indolo[1,2-b][1,2]benzothiazin-12-ol 5,5-dioxide
- IUPAC
- 5,5-dioxo-12-phenylindolo[1,2-b][1,2]benzothiazin-12-ol
Names & synonyms
79253-81-9NSC327394NSC 32739412-Phenyl-12H-indolo[1,2-b][1,2]benzothiazin-12-ol 5,5-dioxide12-Phenyl-12H-indolo(1,2-b)(1,2)benzothiazin-12-ol 5,5-dioxideNSC-3273945,5-dioxo-12-phenyl-indolo[1,2-b][1,2]benzothiazin-12-ol
Database identifiers
- CAS
79253-81-9- PubChem CID
- 332010
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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