1,2,4-thiadiazol-5-amine hydrochloride

• ChemBase ID: 61839
• Molecular Formular: C2H4ClN3S
• Molecular Mass: 137.59126
• Monoisotopic Mass: 136.98144582
• SMILES: s1ncnc1N.Cl
• Canonical SMILES: Nc1ncns1.Cl
• InChI: InChI=1S/C2H3N3S.ClH/c3-2-4-1-5-6-2;/h1H,(H2,3,4,5);1H
• InChIKey: JCIIKRHCWVHVFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4-thiadiazol-5-amine hydrochloride
• IUPAC Traditional name: 1,2,4-thiadiazol-5-amine hydrochloride
• Synonyms: 1,2,4-Thiadiazol-5-amine hydrochloride

Database IDs

• CAS Number: 152513-91-2
• MDL Number: MFCD19441985
• PubChem SID: 162027578
• PubChem CID: 22014543

CALCULATED PROPERTIES

• Acid pKa: 14.293071
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18826765
• LogD (pH = 7.4): 0.18836732
• Log P: 0.18836865
• Molar Refractivity: 25.2534 cm^3
• Polarizability: 8.503553 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%