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

• ChemBase ID: 59503
• Molecular Formular: C6H9NO2S
• Molecular Mass: 159.20616
• Monoisotopic Mass: 159.03539953
• SMILES: c1(ncc(s1)CO)OCC
• Canonical SMILES: CCOc1ncc(s1)CO
• InChI: InChI=1S/C6H9NO2S/c1-2-9-6-7-3-5(4-8)10-6/h3,8H,2,4H2,1H3
• InChIKey: FDGAQIGCOKUYBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09693784
• PubChem SID: 162064266
• PubChem CID: 16494824

CALCULATED PROPERTIES

• Acid pKa: 13.7079115
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8805138
• LogD (pH = 7.4): 0.88051474
• Log P: 0.8805149
• Molar Refractivity: 38.5515 cm^3
• Polarizability: 15.017473 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false