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

• ChemBase ID: 247607
• Molecular Formular: C6H9NOS
• Molecular Mass: 143.20676
• Monoisotopic Mass: 143.04048491
• SMILES: n1c(sc(c1)CO)CC
• Canonical SMILES: CCc1ncc(s1)CO
• InChI: InChI=1S/C6H9NOS/c1-2-6-7-3-5(4-8)9-6/h3,8H,2,4H2,1H3
• InChIKey: FJRFBJJNVQHNBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12773970
• PubChem SID: 164303517
• PubChem CID: 21408258

CALCULATED PROPERTIES

• Acid pKa: 14.067088
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81950194
• LogD (pH = 7.4): 0.8207133
• Log P: 0.82072884
• Molar Refractivity: 36.934 cm^3
• Polarizability: 14.197317 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%