potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C17H37KO2S9 — CID 159166344

IUPACpotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
SMILESCC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+]
InChIInChI=1S/C4H9O.2C4H8.C3H8.C2H4O.K.S5.S4/c1-4(2,3)5;2*1-3-4-2;1-3-2;1-2-3;;1-3-5-4-2;1-3-4-2/h1-3H3;2*3-4H,1-2H3;3H2,1-2H3;2H,1H3;;;/q-1;;;;;+1;;
InChIKeyKLCRYIHWJXWMPK-UHFFFAOYSA-N
MW601.18 g/mol
LogP1.91
Rot. Bonds

About potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 159166344) has the molecular formula C17H37KO2S9 and a molecular weight of 601.18 g/mol. Its IUPAC name is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

Compound Namepotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
PubChem CID159166344
Molecular FormulaC17H37KO2S9
Molecular Weight601.18 g/mol
Exact Mass599.99
IUPAC Namepotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
SMILESCC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+]
InChIInChI=1S/C4H9O.2C4H8.C3H8.C2H4O.K.S5.S4/c1-4(2,3)5;2*1-3-4-2;1-3-2;1-2-3;;1-3-5-4-2;1-3-4-2/h1-3H3;2*3-4H,1-2H3;3H2,1-2H3;2H,1H3;;;/q-1;;;;;+1;;
InChIKeyKLCRYIHWJXWMPK-UHFFFAOYSA-N
XLogP1.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The IUPAC name of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 159166344) is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.
What is the SMILES notation for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The canonical SMILES for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is CC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+].
What is the InChIKey of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The InChIKey is KLCRYIHWJXWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H8.C3H8.C2H4O.K.S5.S4/c1-4(2,3)5;2*1-3-4-2;1-3-2;1-2-3;;1-3-5-4-2;1-3-4-2/h1-3H3;2*3-4H,1-2H3;3H2,1-2H3;2H,1H3;;;/q-1;;;;;+1;;.
What are the key properties of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 601.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 159166344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).