1,3-thiazol-2-ylmethanol hydrochloride

• ChemBase ID: 292813
• Molecular Formular: C4H6ClNOS
• Molecular Mass: 151.61454
• Monoisotopic Mass: 150.9858625
• SMILES: Cl.OCc1nccs1
• Canonical SMILES: OCc1nccs1.Cl
• InChI: InChI=1S/C4H5NOS.ClH/c6-3-4-5-1-2-7-4;/h1-2,6H,3H2;1H
• InChIKey: SWARKMZISOCHQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazol-2-ylmethanol hydrochloride
• IUPAC Traditional name: 1,3-thiazol-2-ylmethanol hydrochloride
• Synonyms: Thiazol-2-ylmethanol hydrochloride

Database IDs

• CAS Number: 23784-95-4
• PubChem SID: 180678344
• PubChem CID: 20443970

CALCULATED PROPERTIES

• Acid pKa: 13.548539
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.062255036
• LogD (pH = 7.4): -0.062146418
• Log P: -0.06214472
• Molar Refractivity: 27.4093 cm^3
• Polarizability: 10.627048 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%