2-chloro-4,5-dimethyl-1,3-thiazole

• ChemBase ID: 279341
• Molecular Formular: C5H6ClNS
• Molecular Mass: 147.62584
• Monoisotopic Mass: 146.99094788
• SMILES: n1c(sc(c1C)C)Cl
• Canonical SMILES: Clc1sc(c(n1)C)C
• InChI: InChI=1S/C5H6ClNS/c1-3-4(2)8-5(6)7-3/h1-2H3
• InChIKey: UTMPHXLKDRAIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-dimethyl-1,3-thiazole
• IUPAC Traditional name: 2-chloro-4,5-dimethyl-1,3-thiazole
• Synonyms: 2-chloro-4,5-dimethyl-1,3-thiazole

Database IDs

• MDL Number: MFCD17249933
• PubChem SID: 164335251
• PubChem CID: 14276898

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.323263
• LogD (pH = 7.4): 2.3232837
• Log P: 2.323284
• Molar Refractivity: 35.9401 cm^3
• Polarizability: 13.667122 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.196

Product Information

• Purity: 95%