1,2,5-thiadiazol-3-amine hydrochloride

• ChemBase ID: 238352
• Molecular Formular: C2H4ClN3S
• Molecular Mass: 137.59126
• Monoisotopic Mass: 136.98144582
• SMILES: n1sncc1N.Cl
• Canonical SMILES: Nc1cnsn1.Cl
• InChI: InChI=1S/C2H3N3S.ClH/c3-2-1-4-6-5-2;/h1H,(H2,3,5);1H
• InChIKey: MQVGZOHLRZVLKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5-thiadiazol-3-amine hydrochloride
• IUPAC Traditional name: 1,2,5-thiadiazol-3-amine hydrochloride
• Synonyms: 1,2,5-thiadiazol-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22421767
• PubChem SID: 164294262
• PubChem CID: 19939801

CALCULATED PROPERTIES

• Acid pKa: 16.531174
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12121101
• LogD (pH = 7.4): 0.1212288
• Log P: 0.12122903
• Molar Refractivity: 25.8481 cm^3
• Polarizability: 8.503168 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 0.372

Product Information

• Purity: 95%