4-(chloromethyl)-5-methyl-1,3-thiazole

• ChemBase ID: 309549
• Molecular Formular: C5H6ClNS
• Molecular Mass: 147.62584
• Monoisotopic Mass: 146.99094788
• SMILES: c1(ncsc1C)CCl
• Canonical SMILES: Cc1scnc1CCl
• InChI: InChI=1S/C5H6ClNS/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3
• InChIKey: PQPUSUPRKZMMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-5-methyl-1,3-thiazole
• IUPAC Traditional name: 4-(chloromethyl)-5-methyl-1,3-thiazole
• Synonyms: 4-(chloromethyl)-5-methyl-1,3-thiazole

Database IDs

• MDL Number: MFCD19235476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9459636
• LogD (pH = 7.4): 1.9466052
• Log P: 1.9466134
• Molar Refractivity: 35.6674 cm^3
• Polarizability: 13.59079 Å^3
• Polar Surface Area: 12.89 Å^2