Molecular Identity
2465-65-8
diethoxy-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID: 655
O,O-diethyl hydrogen thiophosphate is an organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of an O,O-diethyl thiophosphate.
2D Structure
Properties
C4H11O3PS
Molecular Formula
170.17
Molecular Weight
g/mol
170.0167
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
70.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
106
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2465-65-8O,O-Diethyl hydrogen phosphorothioateDETP (ester)O,O-Diethyl phosphorothionateDiethyl hydrogen phosphorothionateO,O-DIETHYL PHOSPHOROTHIOATEFND2ADQ374DTXSID9052844NSC-289183NSC-289427RefChem:928011DTXCID6031336DETPO,O-DIETHYL HYDROGEN THIOPHOSPHATEDiethylthiophosphoric acid
Data from PubChem (NCBI)
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