2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide

• ChemBase ID: 310288
• Molecular Formular: C5H7Br2NS
• Molecular Mass: 272.98878
• Monoisotopic Mass: 270.86659423
• SMILES: n1c(sc(c1C)C)Br.Br
• Canonical SMILES: Brc1sc(c(n1)C)C.Br
• InChI: InChI=1S/C5H6BrNS.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3;1H
• InChIKey: UUKFYOXKGYSDHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide
• IUPAC Traditional name: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide
• Synonyms: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4733102
• LogD (pH = 7.4): 2.4733365
• Log P: 2.4733367
• Molar Refractivity: 38.539 cm^3
• Polarizability: 14.692659 Å^3
• Polar Surface Area: 12.89 Å^2