Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-
Basic information
- CAS
343975-63-3- Standard SMILES
Nc1ccc(-c2nc3ccccc3s2)cc1F- InChIKey
YPMSJWNNIBRQDS-UHFFFAOYSA-N- Molecular formula
- C13H9FN2S
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.04704763
Names & identifiers
- Preferred name
- Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-2-fluoroaniline
Names & synonyms
4-(1,3-benzothiazol-2-yl)-2-fluoroanilineBenzenamine, 4-(2-benzothiazolyl)-2-fluoro-NSC703788343975-63-3CHEMBL35221SCHEMBL4592891DTXSID90327930AKOS006172672NSC-703788NCI60_037039
Database identifiers
- CAS
343975-63-3- PubChem CID
- 396815
- DTXSID
DTXSID90327930- ChEMBL
CHEMBL35221
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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