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

• ChemBase ID: 72040
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(ncc(s1)CO)c1ccccc1
• Canonical SMILES: OCc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C10H9NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
• InChIKey: RTGLBURQTRPWRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09694149
• PubChem SID: 162037271
• PubChem CID: 16495207

CALCULATED PROPERTIES

• Acid pKa: 13.949711
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0217247
• LogD (pH = 7.4): 2.0218961
• Log P: 2.0218985
• Molar Refractivity: 62.968 cm^3
• Polarizability: 20.834827 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.546

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%