potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane

C8H18KO3PS — CID 23684020

IUPACpotassium dibutoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCOP([O-])(=S)OCCCC.[K+]
InChIInChI=1S/C8H19O3PS.K/c1-3-5-7-10-12(9,13)11-8-6-4-2;/h3-8H2,1-2H3,(H,9,13);/q;+1/p-1
InChIKeyYNLXRJIFVVLUCK-UHFFFAOYSA-M
MW264.37 g/mol
LogP-0.79
Rot. Bonds8

About potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane

potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23684020) has the molecular formula C8H18KO3PS and a molecular weight of 264.37 g/mol. Its IUPAC name is potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium dibutoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID23684020
Molecular FormulaC8H18KO3PS
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Namepotassium dibutoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCOP([O-])(=S)OCCCC.[K+]
InChIInChI=1S/C8H19O3PS.K/c1-3-5-7-10-12(9,13)11-8-6-4-2;/h3-8H2,1-2H3,(H,9,13);/q;+1/p-1
InChIKeyYNLXRJIFVVLUCK-UHFFFAOYSA-M
XLogP-0.79
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane (CID 23684020) is potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane is CCCCOP([O-])(=S)OCCCC.[K+].
What is the InChIKey of potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is YNLXRJIFVVLUCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O3PS.K/c1-3-5-7-10-12(9,13)11-8-6-4-2;/h3-8H2,1-2H3,(H,9,13);/q;+1/p-1.
What are the key properties of potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane?
potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 264.37 g/mol, XLogP of -0.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dibutoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23684020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).