2H-1,4-Benzothiazine, 3-phenyl-
Basic information
- CAS
20940-07-2- Standard SMILES
c1ccc(C2=Nc3ccccc3SC2)cc1- InChIKey
ZZKONBASFCIWLU-UHFFFAOYSA-N- Molecular formula
- C14H11NS
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.06122053
Names & identifiers
- Preferred name
- 2H-1,4-Benzothiazine, 3-phenyl-
- IUPAC
- 3-phenyl-2H-1,4-benzothiazine
Names & synonyms
2H-1,4-Benzothiazine, 3-phenyl-20940-07-2DTXSID10328964RefChem:267915DTXCID202800693-phenyl-2H-1,4-benzothiazineCHEMBL481947SCHEMBL179680713-phenyl-2H-benzo[e]1,4-thiazineSBB082788AKOS002676123EU-0076048
Database identifiers
- CAS
20940-07-2- PubChem CID
- 415876
- DTXSID
DTXSID10328964- ChEMBL
CHEMBL481947- Nikkaji
- J1.457.768H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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