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

• ChemBase ID: 64089
• Molecular Formular: C5H7NOS
• Molecular Mass: 129.18018
• Monoisotopic Mass: 129.02483485
• SMILES: s1c(cnc1C)CO
• Canonical SMILES: Cc1ncc(s1)CO
• InChI: InChI=1S/C5H7NOS/c1-4-6-2-5(3-7)8-4/h2,7H,3H2,1H3
• InChIKey: UGNOVENEUBRGNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56012-38-5
• MDL Number: MFCD12912988
• PubChem SID: 162029828
• PubChem CID: 12808792

CALCULATED PROPERTIES

• Acid pKa: 14.085676
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11861726
• LogD (pH = 7.4): 0.12017301
• Log P: 0.12019298
• Molar Refractivity: 32.3071 cm^3
• Polarizability: 12.371001 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.053

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%