dimethyl-1,3-thiazole-5-sulfonamide

• ChemBase ID: 286020
• Molecular Formular: C5H8N2O2S2
• Molecular Mass: 192.25922
• Monoisotopic Mass: 192.00271951
• SMILES: c1(S(=O)(=O)N)sc(nc1C)C
• Canonical SMILES: Cc1nc(c(s1)S(=O)(=O)N)C
• InChI: InChI=1S/C5H8N2O2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3,(H2,6,8,9)
• InChIKey: JEURSUYIBLKIGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl-1,3-thiazole-5-sulfonamide
• IUPAC Traditional name: dimethyl-1,3-thiazole-5-sulfonamide
• Synonyms: 2,4-dimethyl-1,3-thiazole-5-sulfonamide

Database IDs

• MDL Number: MFCD00178766
• PubChem SID: 180671551
• PubChem CID: 12873188

CALCULATED PROPERTIES

• Acid pKa: 8.877102
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3416657
• LogD (pH = 7.4): -0.35409307
• Log P: -0.34149978
• Molar Refractivity: 41.6164 cm^3
• Polarizability: 17.090517 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 0.572

Product Information

• Purity: 95%