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

C8H19O2PS3 — CID 3118

IUPACdiethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCCSCC
InChIInChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKeyDOFZAZXDOSGAJZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds9

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

diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 3118) has the molecular formula C8H19O2PS3 and a molecular weight of 274.41 g/mol. Its IUPAC name is diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID3118
Molecular FormulaC8H19O2PS3
Molecular Weight274.41 g/mol
Exact Mass274.03
IUPAC Namediethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCCSCC
InChIInChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKeyDOFZAZXDOSGAJZ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.77
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'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 3118) is diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCCSCC.
What is the InChIKey of diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is DOFZAZXDOSGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3.
What are the key properties of diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 274.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).