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

• ChemBase ID: 44353
• Molecular Formular: C11H10Br2N2S
• Molecular Mass: 362.0835
• Monoisotopic Mass: 359.89314333
• SMILES: n12c(=NCC2)scc1c1ccc(cc1)Br.Br
• Canonical SMILES: Brc1ccc(cc1)c1csc2=NCCn12.Br
• InChI: InChI=1S/C11H9BrN2S.BrH/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11;/h1-4,7H,5-6H2;1H
• InChIKey: MSLXFUADXRMQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00816059
• PubChem SID: 162049116
• PubChem CID: 2844922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.361295
• LogD (pH = 7.4): 2.721213
• Log P: 2.7284553
• Molar Refractivity: 68.5169 cm^3
• Polarizability: 25.602497 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%