potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane

C6H14KO2PS2 — CID 88816879

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

About potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane

potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 88816879) has the molecular formula C6H14KO2PS2 and a molecular weight of 252.38 g/mol. Its IUPAC name is potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID88816879
Molecular FormulaC6H14KO2PS2
Molecular Weight252.38 g/mol
Exact Mass251.98
IUPAC Namepotassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCSP([O-])(=S)OCC.[K+]
InChIInChI=1S/C6H15O2PS2.K/c1-3-5-6-11-9(7,10)8-4-2;/h3-6H2,1-2H3,(H,7,10);/q;+1/p-1
InChIKeySEOVMCAXASORJA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
CID 23671261
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
CID 3063122
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285

Frequently Asked Questions

What is the IUPAC name of potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane (CID 88816879) is potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane is CCCCSP([O-])(=S)OCC.[K+].
What is the InChIKey of potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is SEOVMCAXASORJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O2PS2.K/c1-3-5-6-11-9(7,10)8-4-2;/h3-6H2,1-2H3,(H,7,10);/q;+1/p-1.
What are the key properties of potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
potassium butylsulfanyl-ethoxy-oxido-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 butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88816879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).