(5-methyl-1,3-thiazol-4-yl)methanol

• ChemBase ID: 309686
• Molecular Formular: C5H7NOS
• Molecular Mass: 129.18018
• Monoisotopic Mass: 129.02483485
• SMILES: c1(ncsc1C)CO
• Canonical SMILES: Cc1scnc1CO
• InChI: InChI=1S/C5H7NOS/c1-4-5(2-7)6-3-8-4/h3,7H,2H2,1H3
• InChIKey: SELIBVBRTKHGSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-thiazol-4-yl)methanol
• IUPAC Traditional name: (5-methyl-1,3-thiazol-4-yl)methanol
• Synonyms: (5-methyl-1,3-thiazol-4-yl)methanol

Database IDs

• CAS Number: 848774-94-7
• MDL Number: MFCD08236827

CALCULATED PROPERTIES

• Acid pKa: 13.928394
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.591647
• LogD (pH = 7.4): 0.5920167
• Log P: 0.5920215
• Molar Refractivity: 32.6164 cm^3
• Polarizability: 12.369809 Å^3
• Polar Surface Area: 33.12 Å^2

PROPERTIES

Product Information

• Purity: 98%