4-ethyl-1,3-thiazole-2-carbaldehyde

• ChemBase ID: 294904
• Molecular Formular: C6H7NOS
• Molecular Mass: 141.19088
• Monoisotopic Mass: 141.02483485
• SMILES: CCc1csc(C=O)n1
• Canonical SMILES: CCc1csc(n1)C=O
• InChI: InChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
• InChIKey: JDGBKOBUBCHSGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,3-thiazole-2-carbaldehyde
• IUPAC Traditional name: 4-ethyl-1,3-thiazole-2-carbaldehyde
• Synonyms: 4-Ethylthiazole-2-carbaldehyde

Database IDs

• CAS Number: 211943-05-4
• MDL Number: MFCD11520452
• PubChem SID: 180680435
• PubChem CID: 45083410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8426802
• LogD (pH = 7.4): 1.8426846
• Log P: 1.8426846
• Molar Refractivity: 36.5328 cm^3
• Polarizability: 13.658047 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%