2-bromo-3-phenyl-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide

• ChemBase ID: 43730
• Molecular Formular: C11H10Br2N2S
• Molecular Mass: 362.0835
• Monoisotopic Mass: 359.89314333
• SMILES: c12=NCCn2c(c(s1)Br)c1ccccc1.Br
• Canonical SMILES: Brc1sc2=NCCn2c1c1ccccc1.Br
• InChI: InChI=1S/C11H9BrN2S.BrH/c12-10-9(8-4-2-1-3-5-8)14-7-6-13-11(14)15-10;/h1-5H,6-7H2;1H
• InChIKey: FMQQZJWVVOHZRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-phenyl-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide
• IUPAC Traditional name: 2-bromo-3-phenyl-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide
• Synonyms: 2-bromo-3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide; 2-Bromo-3-phenyl-5,6-dihydroimidazo-[2,1-b][1,3]thiazole hydrobromide; 2-Bromo-5,6-dihydro-3-phenylimidazo[2,1-b][1,3]thiazole hydrobromide

Database IDs

• MDL Number: MFCD09817449
• PubChem SID: 162048493
• PubChem CID: 24213855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3214884
• LogD (pH = 7.4): 3.38592
• Log P: 3.3868072
• Molar Refractivity: 77.7211 cm^3
• Polarizability: 25.539904 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 222 °C; 211-222°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%