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

• ChemBase ID: 268061
• Molecular Formular: C6H5Br3N2S
• Molecular Mass: 376.8943
• Monoisotopic Mass: 373.77235517
• SMILES: n12c(nc(c1Br)CBr)scc2.Br
• Canonical SMILES: Brc1c(CBr)nc2n1ccs2.Br
• InChI: InChI=1S/C6H4Br2N2S.BrH/c7-3-4-5(8)10-1-2-11-6(10)9-4;/h1-2H,3H2;1H
• InChIKey: XXYWHVZTAKKDIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide
• IUPAC Traditional name: 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide
• Synonyms: 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide

Database IDs

• MDL Number: MFCD16547711
• PubChem SID: 164323971
• PubChem CID: 14342847

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1014051
• LogD (pH = 7.4): 2.1024861
• Log P: 2.1025
• Molar Refractivity: 63.2454 cm^3
• Polarizability: 19.896664 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 2.83

Product Information

• Purity: 95%