(diethylsulfamoyl)diethylamine

• ChemBase ID: 138631
• Molecular Formular: C8H20N2O2S
• Molecular Mass: 208.3216
• Monoisotopic Mass: 208.12454889
• SMILES: CCN(CC)S(=O)(=O)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N(CC)CC)CC
• InChI: InChI=1S/C8H20N2O2S/c1-5-9(6-2)13(11,12)10(7-3)8-4/h5-8H2,1-4H3
• InChIKey: IYIAWAACGTUPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethylsulfamoyl)diethylamine
• IUPAC Traditional name: (diethylsulfamoyl)diethylamine
• Synonyms: TES; N,N,N′,N′-Tetraethylsulfamide; N,N,N′,N′-四乙基硫酰胺

Database IDs

• CAS Number: 2832-49-7
• MDL Number: MFCD00010185
• Beilstein Number: 1773566
• PubChem SID: 24888756; 162232883; 24855714
• PubChem CID: 137739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3306313
• LogD (pH = 7.4): 0.33063215
• Log P: 0.33063215
• Molar Refractivity: 55.4228 cm^3
• Polarizability: 22.315718 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 249-251 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.); n20/D 1.449

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0%; 99%
• Linear Formula: (C2H5)2NSO2N(C2H5)2

DETAILS

Sigma Aldrich - 259586

Packaging
50, 250 mL in glass bottle

Sigma Aldrich - 86718

Other Notes
Aprotic, dipolar solvent for Grignard reactions1,2
Packaging
100 mL in glass bottle