ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane

C11H25O2PS3 — CID 88779818

IUPACethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane
SMILESCCCSC(CC)COP(=S)(OCC)SCC
InChIInChI=1S/C11H25O2PS3/c1-5-9-16-11(6-2)10-13-14(15,12-7-3)17-8-4/h11H,5-10H2,1-4H3
InChIKeyNJEGJCVMCDNPMJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.94
Rot. Bonds11

About ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane

ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane (PubChem CID 88779818) has the molecular formula C11H25O2PS3 and a molecular weight of 316.49 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane
PubChem CID88779818
Molecular FormulaC11H25O2PS3
Molecular Weight316.49 g/mol
Exact Mass316.08
IUPAC Nameethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane
SMILESCCCSC(CC)COP(=S)(OCC)SCC
InChIInChI=1S/C11H25O2PS3/c1-5-9-16-11(6-2)10-13-14(15,12-7-3)17-8-4/h11H,5-10H2,1-4H3
InChIKeyNJEGJCVMCDNPMJ-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
diethoxy-(1-phenylethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21489055
ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 38988334
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane (CID 88779818) is ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane is CCCSC(CC)COP(=S)(OCC)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is NJEGJCVMCDNPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O2PS3/c1-5-9-16-11(6-2)10-13-14(15,12-7-3)17-8-4/h11H,5-10H2,1-4H3.
What are the key properties of ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane?
ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 316.49 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-(2-propylsulfanylbutoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88779818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).