1-(1,3-thiazol-4-yl)ethan-1-ol

• ChemBase ID: 246527
• Molecular Formular: C5H7NOS
• Molecular Mass: 129.18018
• Monoisotopic Mass: 129.02483485
• SMILES: c1(ncsc1)C(O)C
• Canonical SMILES: CC(c1cscn1)O
• InChI: InChI=1S/C5H7NOS/c1-4(7)5-2-8-3-6-5/h2-4,7H,1H3
• InChIKey: DYKKXJKGYIHJGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-thiazol-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1,3-thiazol-4-yl)ethanol
• Synonyms: 1-(1,3-thiazol-4-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD13184167
• PubChem SID: 164302437
• PubChem CID: 13678545

CALCULATED PROPERTIES

• Acid pKa: 13.823114
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51485515
• LogD (pH = 7.4): 0.51492393
• Log P: 0.51492494
• Molar Refractivity: 32.054 cm^3
• Polarizability: 12.445302 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.243

Product Information

• Purity: 95%