2H-1,4-Benzothiazin-3(4H)-one, 7-fluoro-
Basic information
- CAS
100638-20-8- Standard SMILES
O=C1CSc2cc(F)ccc2N1- InChIKey
ZRSCIBYAOVOFIG-UHFFFAOYSA-N- Molecular formula
- C8H6FNOS
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.01541315
Names & identifiers
- Preferred name
- 2H-1,4-Benzothiazin-3(4H)-one, 7-fluoro-
- IUPAC
- 7-fluoro-4H-1,4-benzothiazin-3-one
Names & synonyms
100638-20-87-fluoro-2H-1,4-benzothiazin-3(4H)-one2H-1,4-Benzothiazin-3(4H)-one, 7-fluoro-7-fluoro-4H-1,4-benzothiazin-3-one7-fluoro-2H-benzo[b][1,4]thiazin-3(4H)-oneNSC2705307-Fluoro-4H-benzo[1,4]thiazin-3-oneSCHEMBL1148132SCHEMBL5751107DTXSID30313473ZRSCIBYAOVOFIG-UHFFFAOYSA-NMFCD12196317
Show more names
AKOS005061968NSC-270530
Database identifiers
- CAS
100638-20-8- PubChem CID
- 321133
- DTXSID
DTXSID30313473
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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