(2-ethyl-4-methyl-1,3-thiazol-5-yl)methanol

• ChemBase ID: 308307
• Molecular Formular: C7H11NOS
• Molecular Mass: 157.23334
• Monoisotopic Mass: 157.05613498
• SMILES: n1c(c(sc1CC)CO)C
• Canonical SMILES: CCc1nc(c(s1)CO)C
• InChI: InChI=1S/C7H11NOS/c1-3-7-8-5(2)6(4-9)10-7/h9H,3-4H2,1-2H3
• InChIKey: IELFLNFBTDIHQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethyl-4-methyl-1,3-thiazol-5-yl)methanol
• IUPAC Traditional name: (2-ethyl-4-methyl-1,3-thiazol-5-yl)methanol
• Synonyms: (2-ethyl-4-methyl-1,3-thiazol-5-yl)methanol

Database IDs

• CAS Number: 137267-28-8
• MDL Number: MFCD09971304

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95114034
• LogD (pH = 7.4): 0.95208687
• Log P: 0.952099
• Molar Refractivity: 41.5255 cm^3
• Polarizability: 15.946616 Å^3
• Polar Surface Area: 33.12 Å^2