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

• ChemBase ID: 59500
• Molecular Formular: C5H7NO2S
• Molecular Mass: 145.17958
• Monoisotopic Mass: 145.01974947
• SMILES: c1(ncc(s1)CO)OC
• Canonical SMILES: COc1ncc(s1)CO
• InChI: InChI=1S/C5H7NO2S/c1-8-5-6-2-4(3-7)9-5/h2,7H,3H2,1H3
• InChIKey: MDLDKUOTEDTEFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 937676-12-5
• MDL Number: MFCD09693747
• PubChem SID: 162064263
• PubChem CID: 16494788

CALCULATED PROPERTIES

• Acid pKa: 13.712113
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5237058
• LogD (pH = 7.4): 0.52370673
• Log P: 0.523707
• Molar Refractivity: 33.8029 cm^3
• Polarizability: 13.199816 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false