1-(4-phenyl-1,3-thiazol-2-yl)ethan-1-ol

• ChemBase ID: 271061
• Molecular Formular: C11H11NOS
• Molecular Mass: 205.27614
• Monoisotopic Mass: 205.05613498
• SMILES: n1c(scc1c1ccccc1)C(O)C
• Canonical SMILES: CC(c1scc(n1)c1ccccc1)O
• InChI: InChI=1S/C11H11NOS/c1-8(13)11-12-10(7-14-11)9-5-3-2-4-6-9/h2-8,13H,1H3
• InChIKey: PYECMWLNMKANBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenyl-1,3-thiazol-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(4-phenyl-1,3-thiazol-2-yl)ethanol
• Synonyms: 1-(4-phenyl-1,3-thiazol-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD17977059
• PubChem SID: 164326971
• PubChem CID: 12263625

CALCULATED PROPERTIES

• Acid pKa: 13.554422
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5396862
• LogD (pH = 7.4): 2.5396948
• Log P: 2.5396953
• Molar Refractivity: 56.6674 cm^3
• Polarizability: 23.35974 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 1.855

Product Information

• Purity: 95%