dipotassium;2,2-dicyanoethene-1,1-dithiolate

C4K2N2S2 — CID 19770836

IUPACdipotassium;2,2-dicyanoethene-1,1-dithiolate
SMILESN#CC(C#N)=C([S-])[S-].[K+].[K+]
InChIInChI=1S/C4H2N2S2.2K/c5-1-3(2-6)4(7)8;;/h7-8H;;/q;2*+1/p-2
InChIKeyIJJXVGPTSCPLMH-UHFFFAOYSA-L
MW218.39 g/mol
LogP-5.65
Rot. Bonds

About dipotassium;2,2-dicyanoethene-1,1-dithiolate

dipotassium;2,2-dicyanoethene-1,1-dithiolate (PubChem CID 19770836) has the molecular formula C4K2N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is dipotassium;2,2-dicyanoethene-1,1-dithiolate.

Molecular Properties

Compound Namedipotassium;2,2-dicyanoethene-1,1-dithiolate
PubChem CID19770836
Molecular FormulaC4K2N2S2
Molecular Weight218.39 g/mol
Exact Mass217.88
IUPAC Namedipotassium;2,2-dicyanoethene-1,1-dithiolate
SMILESN#CC(C#N)=C([S-])[S-].[K+].[K+]
InChIInChI=1S/C4H2N2S2.2K/c5-1-3(2-6)4(7)8;;/h7-8H;;/q;2*+1/p-2
InChIKeyIJJXVGPTSCPLMH-UHFFFAOYSA-L
XLogP-5.65
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 5-5.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_D(3)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2,2-dicyanoethene-1,1-dithiolate?
The IUPAC name of dipotassium;2,2-dicyanoethene-1,1-dithiolate (CID 19770836) is dipotassium;2,2-dicyanoethene-1,1-dithiolate.
What is the SMILES notation for dipotassium;2,2-dicyanoethene-1,1-dithiolate?
The canonical SMILES for dipotassium;2,2-dicyanoethene-1,1-dithiolate is N#CC(C#N)=C([S-])[S-].[K+].[K+].
What is the InChIKey of dipotassium;2,2-dicyanoethene-1,1-dithiolate?
The InChIKey is IJJXVGPTSCPLMH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H2N2S2.2K/c5-1-3(2-6)4(7)8;;/h7-8H;;/q;2*+1/p-2.
What are the key properties of dipotassium;2,2-dicyanoethene-1,1-dithiolate?
dipotassium;2,2-dicyanoethene-1,1-dithiolate has a molecular weight of 218.39 g/mol, XLogP of -5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,2-dicyanoethene-1,1-dithiolate is sourced from PubChem (CID 19770836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).