5-chloro-6-methyl-1,3-benzothiazol-2-amine hydrochloride

• ChemBase ID: 310276
• Molecular Formular: C8H8Cl2N2S
• Molecular Mass: 235.13352
• Monoisotopic Mass: 233.97852463
• SMILES: n1c(sc2c1cc(c(c2)C)Cl)N.Cl
• Canonical SMILES: Nc1sc2c(n1)cc(c(c2)C)Cl.Cl
• InChI: InChI=1S/C8H7ClN2S.ClH/c1-4-2-7-6(3-5(4)9)11-8(10)12-7;/h2-3H,1H3,(H2,10,11);1H
• InChIKey: WNGWNECEKNWDBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-methyl-1,3-benzothiazol-2-amine hydrochloride
• IUPAC Traditional name: 5-chloro-6-methyl-1,3-benzothiazol-2-amine hydrochloride
• Synonyms: 5-chloro-6-methyl-1,3-benzothiazol-2-amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0485013
• LogD (pH = 7.4): 3.0857637
• Log P: 3.086262
• Molar Refractivity: 51.1484 cm^3
• Polarizability: 20.376776 Å^3
• Polar Surface Area: 38.91 Å^2