4-ethenyl-2-methyl-1,3-thiazole

• ChemBase ID: 244651
• Molecular Formular: C6H7NS
• Molecular Mass: 125.19148
• Monoisotopic Mass: 125.02992023
• SMILES: n1c(scc1C=C)C
• Canonical SMILES: Cc1nc(cs1)C=C
• InChI: InChI=1S/C6H7NS/c1-3-6-4-8-5(2)7-6/h3-4H,1H2,2H3
• InChIKey: GNKYWCCWNZWGQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-2-methyl-1,3-thiazole
• IUPAC Traditional name: 4-ethenyl-2-methyl-1,3-thiazole
• Synonyms: 4-ethenyl-2-methyl-1,3-thiazole

Database IDs

• PubChem SID: 164300561
• PubChem CID: 16112391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7247123
• LogD (pH = 7.4): 1.725457
• Log P: 1.7254665
• Molar Refractivity: 34.9463 cm^3
• Polarizability: 13.370768 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.709

Product Information

• Purity: 95%