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

• ChemBase ID: 293322
• Molecular Formular: C2H5Cl2N3S
• Molecular Mass: 174.0522
• Monoisotopic Mass: 172.95812354
• SMILES: Nc1ncns1.Cl.Cl
• Canonical SMILES: Nc1ncns1.Cl.Cl
• InChI: InChI=1S/C2H3N3S.2ClH/c3-2-4-1-5-6-2;;/h1H,(H2,3,4,5);2*1H
• InChIKey: NVMAFJPPVXFQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 180678853
• PubChem CID: 71720970

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

Product Information

• Purity: 95+%