2-bromo-3-(4-bromophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide

• ChemBase ID: 44482
• Molecular Formular: C11H9Br3N2S
• Molecular Mass: 440.97956
• Monoisotopic Mass: 437.8036553
• SMILES: c12=NCCn2c(c(s1)Br)c1ccc(cc1)Br.Br
• Canonical SMILES: Brc1sc2=NCCn2c1c1ccc(cc1)Br.Br
• InChI: InChI=1S/C11H8Br2N2S.BrH/c12-8-3-1-7(2-4-8)9-10(13)16-11-14-5-6-15(9)11;/h1-4H,5-6H2;1H
• InChIKey: POCBKVZNGNCICJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-(4-bromophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide
• IUPAC Traditional name: 2-bromo-3-(4-bromophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole hydrobromide
• Synonyms: 2-Bromo-3-(4-bromophenyl)-5,6-dihydroimidazo-[2,1-b][1,3]thiazole hydrobromide; 2-Bromo-3-(4-bromophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide

Database IDs

• MDL Number: MFCD09865013
• PubChem SID: 162049245
• PubChem CID: 43811202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0911446
• LogD (pH = 7.4): 4.154686
• Log P: 4.1555595
• Molar Refractivity: 85.3439 cm^3
• Polarizability: 28.51094 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 250 °C; >250°C

Safety Information

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

Product Information

• Purity: >95%