(2-bromo-1,3-thiazol-5-yl)methanamine hydrochloride

• ChemBase ID: 806376
• Molecular Formular: C4H6BrClN2S
• Molecular Mass: 229.52584
• Monoisotopic Mass: 227.91235888
• SMILES: Cl.NCc1sc(nc1)Br
• Canonical SMILES: NCc1cnc(s1)Br.Cl
• InChI: InChI=1S/C4H5BrN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H
• InChIKey: NKRZXJJIHNKMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-1,3-thiazol-5-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-bromo-1,3-thiazol-5-yl)methanamine hydrochloride
• Synonyms: C-(2-BROMO-THIAZOL-5-YL)-METHYLAMINE, HCL

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5329505
• LogD (pH = 7.4): 0.15124942
• Log P: 0.9543136
• Molar Refractivity: 37.1487 cm^3
• Polarizability: 14.562271 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%