5-methyl-1,3-thiazol-2-ol

• ChemBase ID: 803960
• Molecular Formular: C4H5NOS
• Molecular Mass: 115.1536
• Monoisotopic Mass: 115.00918479
• SMILES: s1c(ncc1C)O
• Canonical SMILES: Cc1cnc(s1)O
• InChI: InChI=1S/C4H5NOS/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6)
• InChIKey: ICMJQBNCXFJBPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,3-thiazol-2-ol
• IUPAC Traditional name: 5-methyl-1,3-thiazol-2-ol
• Synonyms: 5-METHYLTHIAZOL-2-OL

Database IDs

• CAS Number: 79307-64-5

CALCULATED PROPERTIES

• Acid pKa: 9.424634
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6584725
• LogD (pH = 7.4): 1.6545817
• Log P: 1.6585841
• Molar Refractivity: 27.7769 cm^3
• Polarizability: 10.551333 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%