4-aminothiophene-2-sulfonamide

• ChemBase ID: 273840
• Molecular Formular: C4H6N2O2S2
• Molecular Mass: 178.23264
• Monoisotopic Mass: 177.98706944
• SMILES: S(=O)(=O)(c1cc(cs1)N)N
• Canonical SMILES: Nc1csc(c1)S(=O)(=O)N
• InChI: InChI=1S/C4H6N2O2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H,5H2,(H2,6,7,8)
• InChIKey: JDYQZLNQRKFDKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminothiophene-2-sulfonamide
• IUPAC Traditional name: 4-aminothiophene-2-sulfonamide
• Synonyms: 4-aminothiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD14620229
• PubChem SID: 164329750
• PubChem CID: 45080588

CALCULATED PROPERTIES

• Acid pKa: 8.834894
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.30338934
• LogD (pH = 7.4): -0.31706443
• Log P: -0.30321145
• Molar Refractivity: 39.182 cm^3
• Polarizability: 15.566312 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.664

Product Information

• Purity: 95%