acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane

C10H23NO5P2S2 — CID 88652694

IUPACacetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCC#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChIInChI=1S/C8H20O5P2S2.C2H3N/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-2-3/h5-8H2,1-4H3;1H3
InChIKeyYVSLKBCCPZCADE-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.13
Rot. Bonds10

About acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane

acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 88652694) has the molecular formula C10H23NO5P2S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameacetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID88652694
Molecular FormulaC10H23NO5P2S2
Molecular Weight363.38 g/mol
Exact Mass363.05
IUPAC Nameacetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCC#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChIInChI=1S/C8H20O5P2S2.C2H3N/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-2-3/h5-8H2,1-4H3;1H3
InChIKeyYVSLKBCCPZCADE-UHFFFAOYSA-N
XLogP4.13
TPSA69.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 53297399
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
CID 164728460
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
CID 88510705
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
CID 156593652
CID 156593652
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785

Frequently Asked Questions

What is the IUPAC name of acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane (CID 88652694) is acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane is CC#N.CCOP(=S)(OCC)OP(=S)(OCC)OCC.
What is the InChIKey of acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is YVSLKBCCPZCADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2.C2H3N/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-2-3/h5-8H2,1-4H3;1H3.
What are the key properties of acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 363.38 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88652694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).