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

• ChemBase ID: 308333
• Molecular Formular: C7H4BrClN2S
• Molecular Mass: 263.54206
• Monoisotopic Mass: 261.89670882
• SMILES: n1c2c(sc1N)cc(cc2Br)Cl
• Canonical SMILES: Clc1cc(Br)c2c(c1)sc(n2)N
• InChI: InChI=1S/C7H4BrClN2S/c8-4-1-3(9)2-5-6(4)11-7(10)12-5/h1-2H,(H2,10,11)
• InChIKey: OTXODMAJTODLKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38338-20-4
• MDL Number: MFCD02664351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3349805
• LogD (pH = 7.4): 3.341509
• Log P: 3.341593
• Molar Refractivity: 53.73 cm^3
• Polarizability: 21.522501 Å^3
• Polar Surface Area: 38.91 Å^2