5,6-dichloroimidazo[2,1-b][1,3]thiazole

• ChemBase ID: 255706
• Molecular Formular: C5H2Cl2N2S
• Molecular Mass: 193.05378
• Monoisotopic Mass: 191.93157443
• SMILES: n12c(nc(c1Cl)Cl)scc2
• Canonical SMILES: Clc1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C5H2Cl2N2S/c6-3-4(7)9-1-2-10-5(9)8-3/h1-2H
• InChIKey: URPPMRGEGZBMHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloroimidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 5,6-dichloroimidazo[2,1-b][1,3]thiazole
• Synonyms: 5,6-dichloroimidazo[2,1-b][1,3]thiazole

Database IDs

• MDL Number: MFCD09971662
• PubChem SID: 164311616
• PubChem CID: 28819335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8655874
• LogD (pH = 7.4): 1.8655999
• Log P: 1.8656
• Molar Refractivity: 54.1844 cm^3
• Polarizability: 16.048248 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.298

Product Information

• Purity: 95%