2,3,5,6-tetramethylbenzene-1-sulfonohydrazide

• ChemBase ID: 27372
• Molecular Formular: C10H16N2O2S
• Molecular Mass: 228.31124
• Monoisotopic Mass: 228.09324876
• SMILES: S(=O)(=O)(c1c(c(cc(c1C)C)C)C)NN
• Canonical SMILES: NNS(=O)(=O)c1c(C)c(C)cc(c1C)C
• InChI: InChI=1S/C10H16N2O2S/c1-6-5-7(2)9(4)10(8(6)3)15(13,14)12-11/h5,12H,11H2,1-4H3
• InChIKey: GFXMTBMOSXPILB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethylbenzene-1-sulfonohydrazide
• IUPAC Traditional name: 2,3,5,6-tetramethylbenzenesulfonohydrazide
• Synonyms: 2,3,5,6-Tetramethylbenzenesulfonohydrazide

Database IDs

• MDL Number: MFCD03423371
• PubChem SID: 160990679
• PubChem CID: 19618220

CALCULATED PROPERTIES

• Acid pKa: 10.496409
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3364606
• LogD (pH = 7.4): 2.3389437
• Log P: 2.3364863
• Molar Refractivity: 62.8648 cm^3
• Polarizability: 24.09452 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false