diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol

C11H28O7P2S2 — CID 87872569

IUPACdiethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.OCCCO
InChIInChI=1S/C8H20O5P2S2.C3H8O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;4-2-1-3-5/h5-8H2,1-4H3;4-5H,1-3H2
InChIKeyUGJPDNIASLBEBC-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.96
Rot. Bonds12

About diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol (PubChem CID 87872569) has the molecular formula C11H28O7P2S2 and a molecular weight of 398.42 g/mol. Its IUPAC name is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol.

Molecular Properties

Compound Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
PubChem CID87872569
Molecular FormulaC11H28O7P2S2
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.OCCCO
InChIInChI=1S/C8H20O5P2S2.C3H8O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;4-2-1-3-5/h5-8H2,1-4H3;4-5H,1-3H2
InChIKeyUGJPDNIASLBEBC-UHFFFAOYSA-N
XLogP2.96
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 53297399
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
CID 88510705
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium
CID 54723364
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-[ethoxy(1-sulfopropoxy)phosphinothioyl]oxypropane-1-sulfonic acid
CID 90912396
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
CID 164728460

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol?
The IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol (CID 87872569) is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol.
What is the SMILES notation for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol?
The canonical SMILES for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol is CCOP(=S)(OCC)OP(=S)(OCC)OCC.OCCCO.
What is the InChIKey of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol?
The InChIKey is UGJPDNIASLBEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2.C3H8O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;4-2-1-3-5/h5-8H2,1-4H3;4-5H,1-3H2.
What are the key properties of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol?
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol has a molecular weight of 398.42 g/mol, XLogP of 2.96, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol is sourced from PubChem (CID 87872569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).