6-chloro-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 308537
• Molecular Formular: C7H5ClN2OS
• Molecular Mass: 200.6454
• Monoisotopic Mass: 199.98111147
• SMILES: c12nc(c(n1c(cs2)C)C=O)Cl
• Canonical SMILES: O=Cc1c(Cl)nc2n1c(C)cs2
• InChI: InChI=1S/C7H5ClN2OS/c1-4-3-12-7-9-6(8)5(2-11)10(4)7/h2-3H,1H3
• InChIKey: GSNCCGDAPCLMRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 178449-63-3
• MDL Number: MFCD09907455

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4495256
• LogD (pH = 7.4): 1.4495373
• Log P: 1.4495374
• Molar Refractivity: 60.9897 cm^3
• Polarizability: 17.733143 Å^3
• Polar Surface Area: 34.37 Å^2