(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane

C8H20O4P2S6 — CID 12506612

IUPAC(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SSSSP(=S)(OCC)OCC
InChIInChI=1S/C8H20O4P2S6/c1-5-9-13(15,10-6-2)17-19-20-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKeyVCLLMTMLBQSKIV-UHFFFAOYSA-N
MW434.59 g/mol
LogP6.26
Rot. Bonds13

About (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane

(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 12506612) has the molecular formula C8H20O4P2S6 and a molecular weight of 434.59 g/mol. Its IUPAC name is (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID12506612
Molecular FormulaC8H20O4P2S6
Molecular Weight434.59 g/mol
Exact Mass433.92
IUPAC Name(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SSSSP(=S)(OCC)OCC
InChIInChI=1S/C8H20O4P2S6/c1-5-9-13(15,10-6-2)17-19-20-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKeyVCLLMTMLBQSKIV-UHFFFAOYSA-N
XLogP6.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-(2,3,4,5,6-pentachlorophenyl)sulfanyl-sulfanylidene-λ5-phosphane
CID 23262179
1-diethoxyphosphinothioylsulfanyl-2-methylpropane-1-thiol
CID 23616274
S-diethoxyphosphinothioyl N,N-dimethylcarbamothioate
CID 117059462
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
CID 156593652
CID 156593652
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758

Frequently Asked Questions

What is the IUPAC name of (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane (CID 12506612) is (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SSSSP(=S)(OCC)OCC.
What is the InChIKey of (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is VCLLMTMLBQSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4P2S6/c1-5-9-13(15,10-6-2)17-19-20-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3.
What are the key properties of (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane?
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 434.59 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).