1,3-thiazole-2-sulfonamide

• ChemBase ID: 237975
• Molecular Formular: C3H4N2O2S2
• Molecular Mass: 164.20606
• Monoisotopic Mass: 163.97141938
• SMILES: S(=O)(=O)(c1nccs1)N
• Canonical SMILES: NS(=O)(=O)c1nccs1
• InChI: InChI=1S/C3H4N2O2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H,(H2,4,6,7)
• InChIKey: WKXVETMYCFRGET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00943474
• PubChem SID: 164293885
• PubChem CID: 21956330

CALCULATED PROPERTIES

• Acid pKa: 7.6020284
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08070946
• LogD (pH = 7.4): -0.25929934
• Log P: -0.07768063
• Molar Refractivity: 32.8976 cm^3
• Polarizability: 13.634014 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.326

Product Information

• Purity: 95%