1-(dimethyl-1,3-thiazol-5-yl)ethan-1-ol

• ChemBase ID: 264348
• Molecular Formular: C7H11NOS
• Molecular Mass: 157.23334
• Monoisotopic Mass: 157.05613498
• SMILES: c1(c(nc(s1)C)C)C(O)C
• Canonical SMILES: Cc1nc(c(s1)C(O)C)C
• InChI: InChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h5,9H,1-3H3
• InChIKey: FXZYEZVDLZPOPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-thiazol-5-yl)ethan-1-ol
• IUPAC Traditional name: 1-(dimethyl-1,3-thiazol-5-yl)ethanol
• Synonyms: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD13196320
• PubChem SID: 164320258
• PubChem CID: 45792553

CALCULATED PROPERTIES

• Acid pKa: 14.189413
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6669882
• LogD (pH = 7.4): 0.6681236
• Log P: 0.66813815
• Molar Refractivity: 41.3174 cm^3
• Polarizability: 15.946454 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.705

Product Information

• Purity: 95%