[4-(1,3-thiazol-2-yl)phenyl]methanol

• ChemBase ID: 90548
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: OCc1ccc(cc1)c1nccs1
• Canonical SMILES: OCc1ccc(cc1)c1nccs1
• InChI: InChI=1S/C10H9NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-6,12H,7H2
• InChIKey: QOLUYHARONOGNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(1,3-thiazol-2-yl)phenyl]methanol
• IUPAC Traditional name: [4-(1,3-thiazol-2-yl)phenyl]methanol
• Synonyms: [4-(1,3-thiazol-2-yl)phenyl]methanol; [4-(1,3-Thiazol-2-yl)phenyl]methanol; 4-(1,3-Thiazol-2-yl)benzyl alcohol 97%

Database IDs

• CAS Number: 454678-91-2
• MDL Number: MFCD09064950
• PubChem SID: 162077345
• PubChem CID: 24229487

CALCULATED PROPERTIES

• Acid pKa: 14.908253
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8889344
• LogD (pH = 7.4): 1.8894525
• Log P: 1.8894591
• Molar Refractivity: 63.1839 cm^3
• Polarizability: 20.828537 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93.5-97°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%