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

• ChemBase ID: 815564
• Molecular Formular: C7H11NOS
• Molecular Mass: 157.23334
• Monoisotopic Mass: 157.05613498
• SMILES: C(O)c1nc(sc1C)CC
• Canonical SMILES: CCc1nc(c(s1)C)CO
• InChI: InChI=1S/C7H11NOS/c1-3-7-8-6(4-9)5(2)10-7/h9H,3-4H2,1-2H3
• InChIKey: GYLVKZNLIUPHOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1008795-40-1

CALCULATED PROPERTIES

• Acid pKa: 13.97771
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4139036
• LogD (pH = 7.4): 1.4156003
• Log P: 1.4156221
• Molar Refractivity: 41.684 cm^3
• Polarizability: 15.947888 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%