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

• ChemBase ID: 103602
• Molecular Formular: C13H13BrN2O4S
• Molecular Mass: 373.22232
• Monoisotopic Mass: 371.97793991
• SMILES: OC(=O)C(=O)O.Brc1ccc(cc1)C1CN2CCSC2=N1
• Canonical SMILES: OC(=O)C(=O)O.Brc1ccc(cc1)C1CN2C(=N1)SCC2
• InChI: InChI=1S/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)
• InChIKey: ZULBIBHDIQCNIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-bromophenyl)-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole; oxalic acid
• IUPAC Traditional name: 6-(4-bromophenyl)-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole; oxalic acid
• Synonyms: (-)-6(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ethanedioate; R 30402; (-)-4-Bromotetramisole oxalate; 6-Bromolevamisole oxalate; (-)-p-BROMOTETRAMISOLE

Database IDs

• CAS Number: 62284-79-1
• EC Number: 263-487-0
• PubChem SID: 162091373
• PubChem CID: 112477

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6845914
• LogD (pH = 7.4): 2.9889653
• Log P: 3.1269796
• Molar Refractivity: 67.7012 cm^3
• Polarizability: 25.782282 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02152408

Oxalate Salt
Purity: 99%
A potent alkaline phosphate inhibitor. (-)-p-Bromotetramisole has been shown to function more effectively in the quantitative determination of intestinal and placental isoenzymes of alkaline phosphatase in human serum than the more commonly used L-phenylalanine.