[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate

C8H20O5P2S2 — CID 22497723

IUPAC[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=S)(OCC)SCC
InChIInChI=1S/C8H20O5P2S2/c1-5-10-14(9,11-6-2)13-15(16,12-7-3)17-8-4/h5-8H2,1-4H3
InChIKeyXKVMRLJFXWMIAA-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.20
Rot. Bonds10

About [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate

[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate (PubChem CID 22497723) has the molecular formula C8H20O5P2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate.

Molecular Properties

Compound Name[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
PubChem CID22497723
Molecular FormulaC8H20O5P2S2
Molecular Weight322.33 g/mol
Exact Mass322.02
IUPAC Name[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=S)(OCC)SCC
InChIInChI=1S/C8H20O5P2S2/c1-5-10-14(9,11-6-2)13-15(16,12-7-3)17-8-4/h5-8H2,1-4H3
InChIKeyXKVMRLJFXWMIAA-UHFFFAOYSA-N
XLogP4.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
CID 22497472
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane
CID 88779818
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
sulfur trioxide;triethyl phosphate
CID 86745268
diethyl phosphoroso phosphate
CID 175016516

Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate?
The IUPAC name of [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate (CID 22497723) is [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate.
What is the SMILES notation for [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate?
The canonical SMILES for [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate is CCOP(=O)(OCC)OP(=S)(OCC)SCC.
What is the InChIKey of [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate?
The InChIKey is XKVMRLJFXWMIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2/c1-5-10-14(9,11-6-2)13-15(16,12-7-3)17-8-4/h5-8H2,1-4H3.
What are the key properties of [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate?
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate has a molecular weight of 322.33 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate is sourced from PubChem (CID 22497723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).