6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide

• ChemBase ID: 229324
• Molecular Formular: C6H6Br2N2S
• Molecular Mass: 297.99824
• Monoisotopic Mass: 295.8618432
• SMILES: c12nc(cn1ccs2)CBr.Br
• Canonical SMILES: BrCc1cn2c(n1)scc2.Br
• InChI: InChI=1S/C6H5BrN2S.BrH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H
• InChIKey: XINQGNGWQODEQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide
• IUPAC Traditional name: 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide
• Synonyms: 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide

Database IDs

• MDL Number: MFCD00725035
• PubChem SID: 164285234
• PubChem CID: 44654521

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6569499
• LogD (pH = 7.4): 1.6689448
• Log P: 1.6691
• Molar Refractivity: 55.8406 cm^3
• Polarizability: 16.705025 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 1.949

Product Information

• Purity: 95%
• Salt Data: HBr