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

C13H29KO2S9 — CID 158696883

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

potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 158696883) has the molecular formula C13H29KO2S9 and a molecular weight of 545.07 g/mol. Its IUPAC name is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

• Compound Name: potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• PubChem CID: 158696883
• Molecular Formula: C13H29KO2S9
• Molecular Weight: 545.07 g/mol
• Exact Mass: 543.93
• IUPAC Name: potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• SMILES: CC(C)(C)[O-].CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+]
• InChI: InChI=1S/C4H9O.C4H8.C3H8.C2H4O.K.S5.S4/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;1-3-5-4-2;1-3-4-2/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;;;/q-1;;;;+1
• InChIKey: IHBCFTRIGWXRLP-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 40.13 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.07
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;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;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 158696883) is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;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;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;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is CC(C)(C)[O-].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;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The InChIKey is IHBCFTRIGWXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C4H8.C3H8.C2H4O.K.S5.S4/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;1-3-5-4-2;1-3-4-2/h1-3H3;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;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 545.07 g/mol, XLogP of 0.33, 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;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 158696883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).