1,2,4-thiadiazole-3-sulfonamide

• ChemBase ID: 276076
• Molecular Formular: C2H3N3O2S2
• Molecular Mass: 165.19412
• Monoisotopic Mass: 164.96666835
• SMILES: c1(S(=O)(=O)N)ncsn1
• Canonical SMILES: NS(=O)(=O)c1nscn1
• InChI: InChI=1S/C2H3N3O2S2/c3-9(6,7)2-4-1-8-5-2/h1H,(H2,3,6,7)
• InChIKey: REUQZLGMVDQWBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4-thiadiazole-3-sulfonamide
• IUPAC Traditional name: 1,2,4-thiadiazole-3-sulfonamide
• Synonyms: 1,2,4-thiadiazole-3-sulfonamide

Database IDs

• MDL Number: MFCD19382034
• PubChem SID: 164331986
• PubChem CID: 18679681

CALCULATED PROPERTIES

• Acid pKa: 7.019648
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39357597
• LogD (pH = 7.4): -0.8086212
• Log P: -0.3821386
• Molar Refractivity: 33.1836 cm^3
• Polarizability: 12.885527 Å^3
• Polar Surface Area: 85.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.034

Product Information

• Purity: 95%