EMS – ethyl methanesulfonate

Name
WID EMS View in model
Name ethyl methanesulfonate View in model
Traditional name ethyl methanesulfonate
IUPAC name ethyl methanesulfonate
Cross references ChEBI: 305656, PubChem: 85497932
 
Classification
Type alkylating_agent_ethylation View in model
 
Structure
Empirical formula (pH 7.5) H8C3O3S1
SMILES (pH 7.5) CCOS(=O)(=O)C
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 124.16 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
107.20
logP -0.230
logD (pH 7.5) -0.230
 
Function
Reaction participant View in model
 
Comments
Comments SN1/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 15:06:56
Last updated 2012-10-01 15:12:07