potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane

C6H14KO2PS2 — CID 23699412

IUPACpotassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SC(C)CC.[K+]
InChIInChI=1S/C6H15O2PS2.K/c1-4-6(3)11-9(7,10)8-5-2;/h6H,4-5H2,1-3H3,(H,7,10);/q;+1/p-1
InChIKeyKSRBNLFWRTYLTG-UHFFFAOYSA-M
MW252.38 g/mol
LogP-0.86
Rot. Bonds5

About potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane

potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23699412) has the molecular formula C6H14KO2PS2 and a molecular weight of 252.38 g/mol. Its IUPAC name is potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID23699412
Molecular FormulaC6H14KO2PS2
Molecular Weight252.38 g/mol
Exact Mass251.98
IUPAC Namepotassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SC(C)CC.[K+]
InChIInChI=1S/C6H15O2PS2.K/c1-4-6(3)11-9(7,10)8-5-2;/h6H,4-5H2,1-3H3,(H,7,10);/q;+1/p-1
InChIKeyKSRBNLFWRTYLTG-UHFFFAOYSA-M
XLogP-0.86
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
1-diethoxyphosphinothioylsulfanyl-2-methylpropane-1-thiol
CID 23616274
potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
CID 23671261
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
zinc bis(butoxy-(3-methylbutan-2-ylsulfanyl)-oxido-sulfanylidene-λ5-phosphane)
CID 121348750
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
(2S)-2-[3-chloropropylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
CID 22811655
sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine
CID 23679326
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
potassium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18941

Frequently Asked Questions

What is the IUPAC name of potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane (CID 23699412) is potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane is CCOP([O-])(=S)SC(C)CC.[K+].
What is the InChIKey of potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is KSRBNLFWRTYLTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O2PS2.K/c1-4-6(3)11-9(7,10)8-5-2;/h6H,4-5H2,1-3H3,(H,7,10);/q;+1/p-1.
What are the key properties of potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane?
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 252.38 g/mol, XLogP of -0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23699412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).