potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane

C6H14KO3PS2 — CID 23671261

IUPACpotassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCCCOC.[K+]
InChIInChI=1S/C6H15O3PS2.K/c1-3-9-10(7,11)12-6-4-5-8-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1
InChIKeyVOWGCUGSDULFPD-UHFFFAOYSA-M
MW268.38 g/mol
LogP-1.62
Rot. Bonds7

About potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane

potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23671261) has the molecular formula C6H14KO3PS2 and a molecular weight of 268.38 g/mol. Its IUPAC name is potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
PubChem CID23671261
Molecular FormulaC6H14KO3PS2
Molecular Weight268.38 g/mol
Exact Mass267.98
IUPAC Namepotassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCCCOC.[K+]
InChIInChI=1S/C6H15O3PS2.K/c1-3-9-10(7,11)12-6-4-5-8-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1
InChIKeyVOWGCUGSDULFPD-UHFFFAOYSA-M
XLogP-1.62
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
CID 88829017
CID 88829017
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
CID 140546243
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
aluminum;triethyl phosphate;phosphate
CID 174993171
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
1-[butylsulfanyl(methyl)phosphoryl]oxybutane
CID 3084236

Frequently Asked Questions

What is the IUPAC name of potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane (CID 23671261) is potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane is CCOP([O-])(=S)SCCCOC.[K+].
What is the InChIKey of potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is VOWGCUGSDULFPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O3PS2.K/c1-3-9-10(7,11)12-6-4-5-8-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1.
What are the key properties of potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane?
potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 268.38 g/mol, XLogP of -1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).