[2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methanol

• ChemBase ID: 658913
• Molecular Formular: C10H7Cl2NOS
• Molecular Mass: 260.13968
• Monoisotopic Mass: 258.96254021
• SMILES: c1(nc(cs1)CO)c1cc(cc(c1)Cl)Cl
• Canonical SMILES: OCc1csc(n1)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C10H7Cl2NOS/c11-7-1-6(2-8(12)3-7)10-13-9(4-14)5-15-10/h1-3,5,14H,4H2
• InChIKey: DSOVWUJJDNDYQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methanol
• IUPAC Traditional name: [2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methanol
• Synonyms: [2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.909062
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1789677
• LogD (pH = 7.4): 3.1790195
• Log P: 3.1790204
• Molar Refractivity: 72.2713 cm^3
• Polarizability: 24.63435 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.66
• LOG S: -4.22
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2