1,3-thiazole-2-carboximidamide hydrochloride

• ChemBase ID: 289486
• Molecular Formular: C4H6ClN3S
• Molecular Mass: 163.62854
• Monoisotopic Mass: 162.99709589
• SMILES: N=C(c1nccs1)N.Cl
• Canonical SMILES: NC(=N)c1nccs1.Cl
• InChI: InChI=1S/C4H5N3S.ClH/c5-3(6)4-7-1-2-8-4;/h1-2H,(H3,5,6);1H
• InChIKey: MOIIOZOJYWYXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 247037-82-7
• PubChem SID: 180675017
• PubChem CID: 18679584

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.78811413
• LogD (pH = 7.4): -0.09281853
• Log P: -0.06994804
• Molar Refractivity: 42.4161 cm^3
• Polarizability: 11.863653 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%