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

• ChemBase ID: 83229
• Molecular Formular: C5H7NOS
• Molecular Mass: 129.18018
• Monoisotopic Mass: 129.02483485
• SMILES: s1c(ncc1C)CO
• Canonical SMILES: Cc1cnc(s1)CO
• InChI: InChI=1S/C5H7NOS/c1-4-2-6-5(3-7)8-4/h2,7H,3H2,1H3
• InChIKey: BWKAOFJDCPNWEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-thiazol-2-yl)methanol
• IUPAC Traditional name: (5-methyl-1,3-thiazol-2-yl)methanol
• Synonyms: 5-Methyl-2-thiazolemethanol; (5-Methyl-1,3-thiazol-2-yl)methanol; 2-(Hydroxymethyl)-5-methyl-1,3-thiazole

Database IDs

• CAS Number: 202932-04-5
• MDL Number: MFCD08060774
• PubChem SID: 162070348
• PubChem CID: 18406887

CALCULATED PROPERTIES

• Acid pKa: 13.714765
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.58324087
• LogD (pH = 7.4): 0.5837099
• Log P: 0.5837161
• Molar Refractivity: 32.4656 cm^3
• Polarizability: 12.373172 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%