1,3-thiazol-2-amine hydrochloride

• ChemBase ID: 294202
• Molecular Formular: C3H5ClN2S
• Molecular Mass: 136.6032
• Monoisotopic Mass: 135.98619685
• SMILES: Nc1nccs1.Cl
• Canonical SMILES: Nc1nccs1.Cl
• InChI: InChI=1S/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H
• InChIKey: WDJXDOCQCALXMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6142-05-8
• MDL Number: MFCD00270826
• PubChem SID: 180679733
• PubChem CID: 80239

CALCULATED PROPERTIES

• Acid pKa: 16.842812
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.35919747
• LogD (pH = 7.4): 0.48542967
• Log P: 0.48736265
• Molar Refractivity: 25.4401 cm^3
• Polarizability: 9.282185 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%