5-phenyl-1,3-thiazol-2-ol

• ChemBase ID: 803957
• Molecular Formular: C9H7NOS
• Molecular Mass: 177.22298
• Monoisotopic Mass: 177.02483485
• SMILES: s1c(ncc1c1ccccc1)O
• Canonical SMILES: Oc1ncc(s1)c1ccccc1
• InChI: InChI=1S/C9H7NOS/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
• InChIKey: JGLDQLVRYJRBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1,3-thiazol-2-ol
• IUPAC Traditional name: 5-phenyl-1,3-thiazol-2-ol
• Synonyms: 2-HYDROXY-5-PHENYLTHIAZOLE

Database IDs

• CAS Number: 83631-55-4

CALCULATED PROPERTIES

• Acid pKa: 9.053572
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6565137
• LogD (pH = 7.4): 2.647408
• Log P: 2.6566548
• Molar Refractivity: 47.6409 cm^3
• Polarizability: 19.675306 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%