{6-phenylimidazo[2,1-b][1,3]thiazol-5-yl}methanol

• ChemBase ID: 42266
• Molecular Formular: C12H10N2OS
• Molecular Mass: 230.2856
• Monoisotopic Mass: 230.05138395
• SMILES: c12nc(c(n1ccs2)CO)c1ccccc1
• Canonical SMILES: OCc1c(nc2n1ccs2)c1ccccc1
• InChI: InChI=1S/C12H10N2OS/c15-8-10-11(9-4-2-1-3-5-9)13-12-14(10)6-7-16-12/h1-7,15H,8H2
• InChIKey: AGNXXFZBPOCOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-phenylimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• IUPAC Traditional name: {6-phenylimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• Synonyms: (6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol

Database IDs

• CAS Number: 76919-41-0
• MDL Number: MFCD02253178
• PubChem SID: 162047029
• PubChem CID: 332988

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.8547889
• LogD (pH = 7.4): 1.8564783
• Log P: 1.8565
• Molar Refractivity: 74.97 cm^3
• Polarizability: 25.376808 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.668386
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 198 - 200 °C; 198-200°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%