4-methyl-1,3-thiazole-2,5-dicarbonyl dichloride

• ChemBase ID: 86164
• Molecular Formular: C6H3Cl2NO2S
• Molecular Mass: 224.06452
• Monoisotopic Mass: 222.9261547
• SMILES: s1c(c(nc1C(=O)Cl)C)C(=O)Cl
• Canonical SMILES: ClC(=O)c1nc(c(s1)C(=O)Cl)C
• InChI: InChI=1S/C6H3Cl2NO2S/c1-2-3(4(7)10)12-6(9-2)5(8)11/h1H3
• InChIKey: SYYWIJFVJZJQMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-thiazole-2,5-dicarbonyl dichloride
• IUPAC Traditional name: 4-methyl-1,3-thiazole-2,5-dicarbonyl dichloride
• Synonyms: 4-methyl-1,3-thiazole-2,5-dicarbonyl dichloride

Database IDs

• MDL Number: MFCD01764766
• PubChem SID: 162073280
• PubChem CID: 4460143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6552181
• LogD (pH = 7.4): 1.6552181
• Log P: 1.6552181
• Molar Refractivity: 47.3486 cm^3
• Polarizability: 17.754908 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true