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

• ChemBase ID: 42263
• Molecular Formular: C6H5ClN2OS
• Molecular Mass: 188.6347
• Monoisotopic Mass: 187.98111147
• SMILES: n1c2n(c(c1Cl)CO)ccs2
• Canonical SMILES: OCc1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C6H5ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-2,10H,3H2
• InChIKey: PWHRIJYPBNUZLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• IUPAC Traditional name: {6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• Synonyms: (6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol; (6-Chloro-imidazo[2,1-b]thiazol-5-yl)-methanol

Database IDs

• CAS Number: 24918-13-6
• MDL Number: MFCD02253174
• PubChem SID: 162047026
• PubChem CID: 332992

CALCULATED PROPERTIES

• Acid pKa: 14.049829
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66165215
• LogD (pH = 7.4): 0.6616993
• Log P: 0.6617
• Molar Refractivity: 56.0719 cm^3
• Polarizability: 16.524403 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170 °C; 168-170°C; 174 - 176°C
• Hydrophobicity(logP): 0.66

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%; 95%