1,2,4-thiadiazole-3-sulfonyl chloride

• ChemBase ID: 275979
• Molecular Formular: C2HClN2O2S2
• Molecular Mass: 184.62454
• Monoisotopic Mass: 183.91679696
• SMILES: c1(S(=O)(=O)Cl)ncsn1
• Canonical SMILES: ClS(=O)(=O)c1nscn1
• InChI: InChI=1S/C2HClN2O2S2/c3-9(6,7)2-4-1-8-5-2/h1H
• InChIKey: SXDJJAWCUQBWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19200552
• PubChem SID: 164331889
• PubChem CID: 54329199

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.95813364
• LogD (pH = 7.4): 0.95813364
• Log P: 0.95813364
• Molar Refractivity: 35.2199 cm^3
• Polarizability: 13.732991 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.259

Product Information

• Purity: 95%