DES – diethyl sulfate

Name
WID DES View in model
Name diethyl sulfate View in model
Traditional name diethyl sulfate
IUPAC name diethyl sulfate
Cross references ChEBI: 371217, PubChem: 85562736, KEGG: C14706
 
Classification
Type alkylating_agent_ethylation View in model
 
Structure
Empirical formula (pH 7.5) H10C4O4S1
SMILES (pH 7.5) CCOS(=O)(=O)OCC
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 154.18 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
133.18
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 0.630
logD (pH 7.5) 0.630
 
Function
Reaction participant View in model
 
Comments
Comments SN2 DNA methylating agent [PUB_0467]
References
  1. Beranek DT. Distribution of methyl and ethyl adducts following alkylation with monofunctional alkylating agents. Mutat Res 231, 11-30 (1990). WholeCell: PUB_0467, PubMed: 2195323

 
Metadata
Created 2012-10-01 15:06:54
Last updated 2012-10-01 15:12:02