1,3-thiazol-5-amine hydrochloride

• ChemBase ID: 67976
• Molecular Formular: C3H5ClN2S
• Molecular Mass: 136.6032
• Monoisotopic Mass: 135.98619685
• SMILES: s1cncc1N.Cl
• Canonical SMILES: Nc1cncs1.Cl
• InChI: InChI=1S/C3H4N2S.ClH/c4-3-1-5-2-6-3;/h1-2H,4H2;1H
• InChIKey: WFJPRXNQDKBTPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazol-5-amine hydrochloride
• IUPAC Traditional name: 1,3-thiazol-5-amine hydrochloride
• Synonyms: 5-Thiazolamine hydrochloride

Database IDs

• CAS Number: 942631-51-8
• MDL Number: MFCD10687116
• PubChem SID: 162033708
• PubChem CID: 46738146

CALCULATED PROPERTIES

• Acid pKa: 19.62839
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.032856338
• LogD (pH = 7.4): -0.030916803
• Log P: -0.030891387
• Molar Refractivity: 25.1267 cm^3
• Polarizability: 9.283823 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%