diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane

C8H20O5P2S2 — CID 53297399

IUPACdiethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(COC)OP(=S)(OCC)OCC
InChIInChI=1S/C8H20O5P2S2/c1-5-10-14(16,8-9-4)13-15(17,11-6-2)12-7-3/h5-8H2,1-4H3
InChIKeyCAAHJIYELATREX-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.25
Rot. Bonds10

About diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane

diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 53297399) has the molecular formula C8H20O5P2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
PubChem CID53297399
Molecular FormulaC8H20O5P2S2
Molecular Weight322.33 g/mol
Exact Mass322.02
IUPAC Namediethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(COC)OP(=S)(OCC)OCC
InChIInChI=1S/C8H20O5P2S2/c1-5-10-14(16,8-9-4)13-15(17,11-6-2)12-7-3/h5-8H2,1-4H3
InChIKeyCAAHJIYELATREX-UHFFFAOYSA-N
XLogP3.25
TPSA46.15 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 ≤ 53.25
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

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 88652694
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
diethoxy-propyl-sulfanylidene-λ5-phosphane
CID 86135567
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
CID 164728460
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium
CID 54723364

Frequently Asked Questions

What is the IUPAC name of diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane (CID 53297399) is diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane is CCOP(=S)(COC)OP(=S)(OCC)OCC.
What is the InChIKey of diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is CAAHJIYELATREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2/c1-5-10-14(16,8-9-4)13-15(17,11-6-2)12-7-3/h5-8H2,1-4H3.
What are the key properties of diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 322.33 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 53297399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).