ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane

C4H11O2PS2 — CID 10563242

IUPACethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SCC
InChIInChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)
InChIKeyOILHDBLLQZLFFI-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.99
Rot. Bonds4

About ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane

ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane (PubChem CID 10563242) has the molecular formula C4H11O2PS2 and a molecular weight of 186.24 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID10563242
Molecular FormulaC4H11O2PS2
Molecular Weight186.24 g/mol
Exact Mass185.99
IUPAC Nameethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SCC
InChIInChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)
InChIKeyOILHDBLLQZLFFI-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane (CID 10563242) is ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane is CCOP(O)(=S)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane?
The InChIKey is OILHDBLLQZLFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8).
What are the key properties of ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane?
ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane has a molecular weight of 186.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 10563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).