4-amino-5-methylthiophene-2-sulfonamide

• ChemBase ID: 274067
• Molecular Formular: C5H8N2O2S2
• Molecular Mass: 192.25922
• Monoisotopic Mass: 192.00271951
• SMILES: c1(S(=O)(=O)N)cc(c(s1)C)N
• Canonical SMILES: Nc1cc(sc1C)S(=O)(=O)N
• InChI: InChI=1S/C5H8N2O2S2/c1-3-4(6)2-5(10-3)11(7,8)9/h2H,6H2,1H3,(H2,7,8,9)
• InChIKey: RKCDSAZBYYBGSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-methylthiophene-2-sulfonamide
• IUPAC Traditional name: 4-amino-5-methylthiophene-2-sulfonamide
• Synonyms: 4-amino-5-methylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD18838722
• PubChem SID: 164329977
• PubChem CID: 54593018

CALCULATED PROPERTIES

• Acid pKa: 9.102918
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34255338
• LogD (pH = 7.4): 0.33510673
• Log P: 0.34264937
• Molar Refractivity: 44.2383 cm^3
• Polarizability: 17.304935 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.215

Product Information

• Purity: 95%