[3-(1,3-thiazol-2-yl)phenyl]methanol

• ChemBase ID: 101208
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(nccs1)c1cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)c1nccs1
• InChI: InChI=1S/C10H9NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-6,12H,7H2
• InChIKey: VDFDKGHCZKGOLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1,3-thiazol-2-yl)phenyl]methanol
• IUPAC Traditional name: [3-(1,3-thiazol-2-yl)phenyl]methanol
• Synonyms: [3-(1,3-thiazol-2-yl)phenyl]methanol

Database IDs

• CAS Number: 184847-97-0
• MDL Number: MFCD09025828
• PubChem SID: 162087501
• PubChem CID: 18525726

CALCULATED PROPERTIES

• Acid pKa: 14.863162
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8889441
• LogD (pH = 7.4): 1.8894526
• Log P: 1.8894591
• Molar Refractivity: 63.1839 cm^3
• Polarizability: 20.828949 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%