4-chloro-6-fluoro-1,3-benzothiazol-2-amine

• ChemBase ID: 308560
• Molecular Formular: C7H4ClFN2S
• Molecular Mass: 202.6364632
• Monoisotopic Mass: 201.97677504
• SMILES: n1c2c(sc1N)cc(cc2Cl)F
• Canonical SMILES: Fc1cc(Cl)c2c(c1)sc(n2)N
• InChI: InChI=1S/C7H4ClFN2S/c8-4-1-3(9)2-5-6(4)11-7(10)12-5/h1-2H,(H2,10,11)
• InChIKey: TYFVRZURNJXRTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-fluoro-1,3-benzothiazol-2-amine
• IUPAC Traditional name: 4-chloro-6-fluoro-1,3-benzothiazol-2-amine
• Synonyms: 4-chloro-6-fluoro-1,3-benzothiazol-2-amine

Database IDs

• CAS Number: 210834-98-3
• MDL Number: MFCD09475479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7082078
• LogD (pH = 7.4): 2.7154493
• Log P: 2.7155423
• Molar Refractivity: 46.3236 cm^3
• Polarizability: 18.380468 Å^3
• Polar Surface Area: 38.91 Å^2