4-hydrazinyl-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide dihydrochloride

• ChemBase ID: 286265
• Molecular Formular: C9H12Cl2N4O2S2
• Molecular Mass: 343.25318
• Monoisotopic Mass: 341.977873
• SMILES: S(=O)(=O)(Nc1nccs1)c1ccc(NN)cc1.Cl.Cl
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)Nc1nccs1.Cl.Cl
• InChI: InChI=1S/C9H10N4O2S2.2ClH/c10-12-7-1-3-8(4-2-7)17(14,15)13-9-11-5-6-16-9;;/h1-6,12H,10H2,(H,11,13);2*1H
• InChIKey: VOKGJWDSRLHHEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide dihydrochloride
• IUPAC Traditional name: 4-hydrazinyl-N-(1,3-thiazol-2-yl)benzenesulfonamide dihydrochloride
• Synonyms: 4-hydrazinyl-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide dihydrochloride

Database IDs

• MDL Number: MFCD21602754
• PubChem SID: 180671796
• PubChem CID: 73994838

CALCULATED PROPERTIES

• Acid pKa: 6.9132185
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.0322694
• LogD (pH = 7.4): 0.70922834
• Log P: 1.0967865
• Molar Refractivity: 67.2786 cm^3
• Polarizability: 25.624304 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%