potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

C6H14KO2PS2 — CID 88730962

IUPACpotassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCOP([O-])(=S)SCCC.[K+]
InChIInChI=1S/C6H15O2PS2.K/c1-3-5-8-9(7,10)11-6-4-2;/h3-6H2,1-2H3,(H,7,10);/q;+1/p-1
InChIKeyOHLDJVCAAITTBV-UHFFFAOYSA-M
MW252.38 g/mol
LogP-0.86
Rot. Bonds6

About potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 88730962) has the molecular formula C6H14KO2PS2 and a molecular weight of 252.38 g/mol. Its IUPAC name is potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID88730962
Molecular FormulaC6H14KO2PS2
Molecular Weight252.38 g/mol
Exact Mass251.98
IUPAC Namepotassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCOP([O-])(=S)SCCC.[K+]
InChIInChI=1S/C6H15O2PS2.K/c1-3-5-8-9(7,10)11-6-4-2;/h3-6H2,1-2H3,(H,7,10);/q;+1/p-1
InChIKeyOHLDJVCAAITTBV-UHFFFAOYSA-M
XLogP-0.86
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 5-0.86
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 potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 88730962) is potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCOP([O-])(=S)SCCC.[K+].
What is the InChIKey of potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is OHLDJVCAAITTBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O2PS2.K/c1-3-5-8-9(7,10)11-6-4-2;/h3-6H2,1-2H3,(H,7,10);/q;+1/p-1.
What are the key properties of potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 252.38 g/mol, XLogP of -0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88730962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).