diethoxy-oxido-sulfanylidene-λ5-phosphane

C4H10O3PS- — CID 3683036

IUPACdiethoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)OCC
InChIInChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1
InChIKeyPKUWKAXTAVNIJR-UHFFFAOYSA-M
MW169.16 g/mol
LogP0.64
Rot. Bonds4

About diethoxy-oxido-sulfanylidene-λ5-phosphane

diethoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 3683036) has the molecular formula C4H10O3PS- and a molecular weight of 169.16 g/mol. Its IUPAC name is diethoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID3683036
Molecular FormulaC4H10O3PS-
Molecular Weight169.16 g/mol
Exact Mass169.01
IUPAC Namediethoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)OCC
InChIInChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1
InChIKeyPKUWKAXTAVNIJR-UHFFFAOYSA-M
XLogP0.64
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.64
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-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-oxido-sulfanylidene-λ5-phosphane (CID 3683036) is diethoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-oxido-sulfanylidene-λ5-phosphane is CCOP([O-])(=S)OCC.
What is the InChIKey of diethoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is PKUWKAXTAVNIJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1.
What are the key properties of diethoxy-oxido-sulfanylidene-λ5-phosphane?
diethoxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 169.16 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3683036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).