(5-ethyl-1,3-thiazol-2-yl)methanol

• ChemBase ID: 246312
• Molecular Formular: C6H9NOS
• Molecular Mass: 143.20676
• Monoisotopic Mass: 143.04048491
• SMILES: n1c(sc(c1)CC)CO
• Canonical SMILES: CCc1cnc(s1)CO
• InChI: InChI=1S/C6H9NOS/c1-2-5-3-7-6(4-8)9-5/h3,8H,2,4H2,1H3
• InChIKey: VPLLKXMDTBCVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethyl-1,3-thiazol-2-yl)methanol
• IUPAC Traditional name: (5-ethyl-1,3-thiazol-2-yl)methanol
• Synonyms: (5-ethyl-1,3-thiazol-2-yl)methanol

Database IDs

• MDL Number: MFCD17251233
• PubChem SID: 164302222
• PubChem CID: 62924313

CALCULATED PROPERTIES

• Acid pKa: 13.6976185
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0278811
• LogD (pH = 7.4): 1.0282794
• Log P: 1.0282848
• Molar Refractivity: 36.9896 cm^3
• Polarizability: 14.19937 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.476

Product Information

• Purity: 95%