2-(trimethylsilyl)ethane-1-sulfonamide

• ChemBase ID: 140527
• Molecular Formular: C5H15NO2SSi
• Molecular Mass: 181.3286
• Monoisotopic Mass: 181.05927626
• SMILES: C[Si](C)(C)CCS(=O)(=O)N
• Canonical SMILES: C[Si](CCS(=O)(=O)N)(C)C
• InChI: InChI=1S/C5H15NO2SSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H2,6,7,8)
• InChIKey: MZASHBBAFBWNFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trimethylsilyl)ethane-1-sulfonamide
• IUPAC Traditional name: 2-(trimethylsilyl)ethanesulfonamide
• Synonyms: SES-NH2; 2-(Trimethylsilyl)ethanesulfonamide; 2-(三甲基硅基)乙磺酰胺

Database IDs

• CAS Number: 125486-96-6
• MDL Number: MFCD09265152
• PubChem SID: 24885631; 162234771
• PubChem CID: 11008553

CALCULATED PROPERTIES

• Acid pKa: 10.795391
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59139794
• LogD (pH = 7.4): 0.5912379
• Log P: 0.5914
• Molar Refractivity: 38.6213 cm^3
• Polarizability: 18.232517 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-87 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Linear Formula: (CH3)3SiCH2CH2SO2NH2

DETAILS

Sigma Aldrich - 681326

Application
Useful reagent for introduction of a SES-protected nitrogen functionality, which can be cleaved with fluoride ion.1
Packaging
1 g in glass bottle