6-(4-Fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Basic information
- CAS
650635-82-8- Standard SMILES
CC1=C(Nc2ccc(F)cc2)C(=O)c2sc(C)nc2C1=O- InChIKey
FGHDCBIIMSIWPV-UHFFFAOYSA-N- Molecular formula
- C15H11FN2O2S
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.05252693
Names & identifiers
- Preferred name
- 6-(4-Fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
- IUPAC
- 6-(4-fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Names & synonyms
6-(4-fluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione650635-82-8DTXSID20333544RefChem:306633DTXCID302846346-[N-(4-Fluorophenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole
Database identifiers
- CAS
650635-82-8- PubChem CID
- 511633
- DTXSID
DTXSID20333544
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 500
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Compound notes
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