4-ethylbenzene-1-sulfonohydrazide; silanone

• ChemBase ID: 138671
• Molecular Formular: C8H14N2O3SSi
• Molecular Mass: 246.35886
• Monoisotopic Mass: 246.04943985
• SMILES: CCc1ccc(cc1)S(=O)(=O)NN.O=[SiH2]
• Canonical SMILES: CCc1ccc(cc1)S(=O)(=O)NN.[SiH2]=O
• InChI: InChI=1S/C8H12N2O2S.H2OSi/c1-2-7-3-5-8(6-4-7)13(11,12)10-9;1-2/h3-6,10H,2,9H2,1H3;2H2
• InChIKey: DFJMMRJRLMRNTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylbenzene-1-sulfonohydrazide; silanone
• IUPAC Traditional name: 4-ethylbenzenesulfonohydrazide; silicon monoxide
• Synonyms: Sulfohydrazine-2ar functionalized silica gel; 2-(4-Toluenesulfonyl hydrazino)ethyl-functionalized silica gel; 磺酰肼-2芳基官能化硅胶; 2-(4-甲苯磺酰肼基)乙基官能化硅胶

Database IDs

• MDL Number: MFCD03095883
• PubChem SID: 162232922
• PubChem CID: 45052164

CALCULATED PROPERTIES

• Acid pKa: 10.227781
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2407943
• LogD (pH = 7.4): 1.2453386
• Log P: 1.240791
• Molar Refractivity: 52.3422 cm^3
• Polarizability: 20.645645 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >330 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1 mmol/g loading

DETAILS

Sigma Aldrich - 552593

Application
Scavenges aldehydes and ketones.