ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane

C8H15O2PS3 — CID 20592830

IUPACethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane
SMILESC#COP(=S)(OCC)SCCSCC
InChIInChI=1S/C8H15O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h1H,5-8H2,2-3H3
InChIKeyDBIJCWNEVAUBRO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds8

About ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane

ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane (PubChem CID 20592830) has the molecular formula C8H15O2PS3 and a molecular weight of 270.38 g/mol. Its IUPAC name is ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane
PubChem CID20592830
Molecular FormulaC8H15O2PS3
Molecular Weight270.38 g/mol
Exact Mass270.00
IUPAC Nameethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane
SMILESC#COP(=S)(OCC)SCCSCC
InChIInChI=1S/C8H15O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h1H,5-8H2,2-3H3
InChIKeyDBIJCWNEVAUBRO-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
CID 87194701
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 87622218
cyclohexane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CID 23173070
2-ethylsulfanylethylsulfanyl-hydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 101416438
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane (CID 20592830) is ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane is C#COP(=S)(OCC)SCCSCC.
What is the InChIKey of ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane?
The InChIKey is DBIJCWNEVAUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h1H,5-8H2,2-3H3.
What are the key properties of ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane?
ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane has a molecular weight of 270.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 20592830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).