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

C8H19O3PS2 — CID 9273

IUPACdiethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCCSCC
InChIInChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
InChIKeyDGLIBALSRMUQDD-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.05
Rot. Bonds9

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

diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 9273) has the molecular formula C8H19O3PS2 and a molecular weight of 258.34 g/mol. Its IUPAC name is diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane
PubChem CID9273
Molecular FormulaC8H19O3PS2
Molecular Weight258.34 g/mol
Exact Mass258.05
IUPAC Namediethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCCSCC
InChIInChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
InChIKeyDGLIBALSRMUQDD-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.05
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'}

Analyze diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane (CID 9273) is diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)OCCSCC.
What is the InChIKey of diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is DGLIBALSRMUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3.
What are the key properties of diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane?
diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 258.34 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 9273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).