diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane

C6H15O2PS2 — CID 17306

IUPACdiethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCC
InChIInChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyBZVCTTJRBWHTOF-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.04
Rot. Bonds6

About diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane

diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 17306) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID17306
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namediethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCC
InChIInChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyBZVCTTJRBWHTOF-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane (CID 17306) is diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCC.
What is the InChIKey of diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is BZVCTTJRBWHTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3.
What are the key properties of diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane?
diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 17306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).