diethoxy-hydroxy-sulfanylidene-lambda5-phosphane

C4H11O3PS — CID 655

IUPACdiethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)OCC
InChIInChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
InChIKeyPKUWKAXTAVNIJR-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.28
Rot. Bonds4

About diethoxy-hydroxy-sulfanylidene-lambda5-phosphane

diethoxy-hydroxy-sulfanylidene-lambda5-phosphane (PubChem CID 655) has the molecular formula C4H11O3PS and a molecular weight of 170.17 g/mol. Its IUPAC name is diethoxy-hydroxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID655
Molecular FormulaC4H11O3PS
Molecular Weight170.17 g/mol
Exact Mass170.02
IUPAC Namediethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)OCC
InChIInChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
InChIKeyPKUWKAXTAVNIJR-UHFFFAOYSA-N
XLogP1.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.28
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 diethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-hydroxy-sulfanylidene-lambda5-phosphane (CID 655) is diethoxy-hydroxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-hydroxy-sulfanylidene-lambda5-phosphane is CCOP(O)(=S)OCC.
What is the InChIKey of diethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The InChIKey is PKUWKAXTAVNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9).
What are the key properties of diethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
diethoxy-hydroxy-sulfanylidene-lambda5-phosphane has a molecular weight of 170.17 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).