2,4-dichloro-5-methyl-1,3-thiazole

• ChemBase ID: 292407
• Molecular Formular: C4H3Cl2NS
• Molecular Mass: 168.04432
• Monoisotopic Mass: 166.93632546
• SMILES: Cc1c(Cl)nc(Cl)s1
• Canonical SMILES: Clc1sc(c(n1)Cl)C
• InChI: InChI=1S/C4H3Cl2NS/c1-2-3(5)7-4(6)8-2/h1H3
• InChIKey: MBSOPCRNBFTLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-methyl-1,3-thiazole
• IUPAC Traditional name: 2,4-dichloro-5-methyl-1,3-thiazole
• Synonyms: 2,4-Dichloro-5-methylthiazole

Database IDs

• CAS Number: 105315-39-7
• PubChem SID: 180677938
• PubChem CID: 13673191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0161355
• LogD (pH = 7.4): 3.0161357
• Log P: 3.0161357
• Molar Refractivity: 37.2147 cm^3
• Polarizability: 13.966718 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%