1,3-thiazole-2-carbaldehyde hydrochloride

• ChemBase ID: 293304
• Molecular Formular: C4H4ClNOS
• Molecular Mass: 149.59866
• Monoisotopic Mass: 148.97021243
• SMILES: O=Cc1nccs1.Cl
• Canonical SMILES: O=Cc1nccs1.Cl
• InChI: InChI=1S/C4H3NOS.ClH/c6-3-4-5-1-2-7-4;/h1-3H;1H
• InChIKey: WUZZCPJMCLFPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazole-2-carbaldehyde hydrochloride
• IUPAC Traditional name: 1,3-thiazole-2-carbaldehyde hydrochloride
• Synonyms: Thiazole-2-carbaldehyde hydrochloride

Database IDs

• CAS Number: 1035220-00-8
• PubChem SID: 180678835
• PubChem CID: 71627052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0107718
• LogD (pH = 7.4): 1.0107785
• Log P: 1.0107787
• Molar Refractivity: 27.3144 cm^3
• Polarizability: 10.094088 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%