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

• ChemBase ID: 308381
• Molecular Formular: C7H4ClFN2S
• Molecular Mass: 202.6364632
• Monoisotopic Mass: 201.97677504
• SMILES: n1c2c(sc1N)cc(cc2F)Cl
• Canonical SMILES: Clc1cc(F)c2c(c1)sc(n2)N
• InChI: InChI=1S/C7H4ClFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
• InChIKey: AHFUZIIJDNCFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 942473-93-0
• MDL Number: MFCD09475484

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7138498
• LogD (pH = 7.4): 2.715521
• Log P: 2.7155423
• Molar Refractivity: 46.3236 cm^3
• Polarizability: 18.36306 Å^3
• Polar Surface Area: 38.91 Å^2