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

• ChemBase ID: 306992
• Molecular Formular: C11H11NOS
• Molecular Mass: 205.27614
• Monoisotopic Mass: 205.05613498
• SMILES: n1c(csc1CCO)c1ccccc1
• Canonical SMILES: OCCc1scc(n1)c1ccccc1
• InChI: InChI=1S/C11H11NOS/c13-7-6-11-12-10(8-14-11)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
• InChIKey: QGFOTYNEYWHIAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 696602-83-2
• MDL Number: MFCD05854488

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2077174
• LogD (pH = 7.4): 2.2079408
• Log P: 2.2079437
• Molar Refractivity: 56.8729 cm^3
• Polarizability: 23.275229 Å^3
• Polar Surface Area: 33.12 Å^2