(2-ethyl-1,3-thiazol-4-yl)methanol

• ChemBase ID: 271915
• Molecular Formular: C6H9NOS
• Molecular Mass: 143.20676
• Monoisotopic Mass: 143.04048491
• SMILES: n1c(csc1CC)CO
• Canonical SMILES: CCc1scc(n1)CO
• InChI: InChI=1S/C6H9NOS/c1-2-6-7-5(3-8)4-9-6/h4,8H,2-3H2,1H3
• InChIKey: KRZHQRCFCRJSTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethyl-1,3-thiazol-4-yl)methanol
• IUPAC Traditional name: (2-ethyl-1,3-thiazol-4-yl)methanol
• Synonyms: (2-ethyl-1,3-thiazol-4-yl)methanol

Database IDs

• CAS Number: 937663-77-9
• MDL Number: MFCD09693916
• PubChem SID: 164327825
• PubChem CID: 16494965

CALCULATED PROPERTIES

• Acid pKa: 13.940759
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7693281
• LogD (pH = 7.4): 0.7697557
• Log P: 0.7697613
• Molar Refractivity: 36.6277 cm^3
• Polarizability: 14.194896 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.476

Product Information

• Purity: 95%