diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc

C16H39O9P3S2Zn — CID 88510705

IUPACdiethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
SMILESCCCCCCOP(=O)(O)OCC.CCOP(=S)(OCC)OP(=S)(OCC)OCC.[Zn]
InChIInChI=1S/C8H20O5P2S2.C8H19O4P.Zn/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-3-5-6-7-8-12-13(9,10)11-4-2;/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10);
InChIKeyVYKRHWMCLHFDJK-UHFFFAOYSA-N
MW597.93 g/mol
LogP6.32
Rot. Bonds18

About diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc (PubChem CID 88510705) has the molecular formula C16H39O9P3S2Zn and a molecular weight of 597.93 g/mol. Its IUPAC name is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc.

Molecular Properties

Compound Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
PubChem CID88510705
Molecular FormulaC16H39O9P3S2Zn
Molecular Weight597.93 g/mol
Exact Mass596.05
IUPAC Namediethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
SMILESCCCCCCOP(=O)(O)OCC.CCOP(=S)(OCC)OP(=S)(OCC)OCC.[Zn]
InChIInChI=1S/C8H20O5P2S2.C8H19O4P.Zn/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-3-5-6-7-8-12-13(9,10)11-4-2;/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10);
InChIKeyVYKRHWMCLHFDJK-UHFFFAOYSA-N
XLogP6.32
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.93
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
dioctyl hydrogen phosphate;zinc
CID 20743274
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
dihydroxy(oxo)zirconium;dioctyl hydrogen phosphate
CID 87504266
acetic acid;dioctyl hydrogen phosphate
CID 175176967

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc?
The IUPAC name of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc (CID 88510705) is diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc.
What is the SMILES notation for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc?
The canonical SMILES for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc is CCCCCCOP(=O)(O)OCC.CCOP(=S)(OCC)OP(=S)(OCC)OCC.[Zn].
What is the InChIKey of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc?
The InChIKey is VYKRHWMCLHFDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2.C8H19O4P.Zn/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;1-3-5-6-7-8-12-13(9,10)11-4-2;/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10);.
What are the key properties of diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc?
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc has a molecular weight of 597.93 g/mol, XLogP of 6.32, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc is sourced from PubChem (CID 88510705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).