dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile

C4H4K2N2S — CID 173458500

IUPACdipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile
SMILESN#CC(C#N)=CS.[H-].[H-].[K+].[K+]
InChIInChI=1S/C4H2N2S.2K.2H/c5-1-4(2-6)3-7;;;;/h3,7H;;;;/q;2*+1;2*-1
InChIKeyKJXNSNDYCLWWSB-UHFFFAOYSA-N
MW190.35 g/mol
LogP-4.92
Rot. Bonds

About dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile

dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile (PubChem CID 173458500) has the molecular formula C4H4K2N2S and a molecular weight of 190.35 g/mol. Its IUPAC name is dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile.

Molecular Properties

Compound Namedipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile
PubChem CID173458500
Molecular FormulaC4H4K2N2S
Molecular Weight190.35 g/mol
Exact Mass189.94
IUPAC Namedipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile
SMILESN#CC(C#N)=CS.[H-].[H-].[K+].[K+]
InChIInChI=1S/C4H2N2S.2K.2H/c5-1-4(2-6)3-7;;;;/h3,7H;;;;/q;2*+1;2*-1
InChIKeyKJXNSNDYCLWWSB-UHFFFAOYSA-N
XLogP-4.92
TPSA47.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 5-4.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile?
The IUPAC name of dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile (CID 173458500) is dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile.
What is the SMILES notation for dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile?
The canonical SMILES for dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile is N#CC(C#N)=CS.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile?
The InChIKey is KJXNSNDYCLWWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2S.2K.2H/c5-1-4(2-6)3-7;;;;/h3,7H;;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile?
dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile has a molecular weight of 190.35 g/mol, XLogP of -4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile is sourced from PubChem (CID 173458500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).