diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane

C8H19O4PS3 — CID 17241

IUPACdiethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCCS(=O)(=O)CC
InChIInChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKeyBKVJOVPVLOJPKJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.45
Rot. Bonds9

About diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane

diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 17241) has the molecular formula C8H19O4PS3 and a molecular weight of 306.41 g/mol. Its IUPAC name is diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID17241
Molecular FormulaC8H19O4PS3
Molecular Weight306.41 g/mol
Exact Mass306.02
IUPAC Namediethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCCS(=O)(=O)CC
InChIInChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKeyBKVJOVPVLOJPKJ-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphinothioylsulfanylbutane-1-sulfonic acid
CID 15851135
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 87622218
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
CID 11043454
ethoxy-(2-ethylsulfanylethylsulfanyl)-ethynoxy-sulfanylidene-λ5-phosphane
CID 20592830
4-dibutoxyphosphinothioylsulfanylbutyl hydrogen sulfate
CID 15851141

Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 17241) is diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCCS(=O)(=O)CC.
What is the InChIKey of diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is BKVJOVPVLOJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3.
What are the key properties of diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 306.41 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 17241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).