RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199894
RefMet name	Ethion
Systematic name	O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate)
Synonyms	PubChem Synonyms
Exact mass	383.987615 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H22O4P2S4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	55957 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	RIZMRRKBZQXFOY-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic dithiophosphoric acids
Sub Class	Dithiophosphate esters
Distribution of Ethion in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Ethion
External Links
Pubchem CID	3286
ChEBI ID	38663
HMDB ID	HMDB0252018
EPA CompTox	DTXCID204086
Spectral data for Ethion standards
MassBank(EU)	View MS spectra