potassium;sodium;hydride;thiocyanato thiocyanate

C2H2KN2NaS2 — CID 173357519

IUPACpotassium;sodium;hydride;thiocyanato thiocyanate
SMILESN#CSSC#N.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C2N2S2.K.Na.2H/c3-1-5-6-2-4;;;;/q;2*+1;2*-1
InChIKeyCLWYGQYNHLHFMI-UHFFFAOYSA-N
MW180.27 g/mol
LogP-4.44
Rot. Bonds1

About potassium;sodium;hydride;thiocyanato thiocyanate

potassium;sodium;hydride;thiocyanato thiocyanate (PubChem CID 173357519) has the molecular formula C2H2KN2NaS2 and a molecular weight of 180.27 g/mol. Its IUPAC name is potassium;sodium;hydride;thiocyanato thiocyanate.

Molecular Properties

Compound Namepotassium;sodium;hydride;thiocyanato thiocyanate
PubChem CID173357519
Molecular FormulaC2H2KN2NaS2
Molecular Weight180.27 g/mol
Exact Mass179.92
IUPAC Namepotassium;sodium;hydride;thiocyanato thiocyanate
SMILESN#CSSC#N.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C2N2S2.K.Na.2H/c3-1-5-6-2-4;;;;/q;2*+1;2*-1
InChIKeyCLWYGQYNHLHFMI-UHFFFAOYSA-N
XLogP-4.44
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-4.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;methyl thiocyanate
CID 173405652
sodium;hydride;scandium;hydrate
CID 174797344
calcium;potassium;sodium;hydride;trihydrate
CID 175316774
trisodium;hydride;thiocyanic acid
CID 174868626
tetracosasodium;hydride;dihydrate
CID 173395672
tetrasodium;hydride;trihydrate
CID 173330721
disodium;hydride;hexahydrate
CID 172995250
heptasodium;hydride;trihydrate
CID 173377375
pentasodium;hydride;triacontahydrate
CID 173289943
tripotassium;hydride;trihydrate
CID 173143566
disodium;hydride;decahydrate
CID 173476673
potassium;hydride;heptahydrate
CID 173112557

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;hydride;thiocyanato thiocyanate?
The IUPAC name of potassium;sodium;hydride;thiocyanato thiocyanate (CID 173357519) is potassium;sodium;hydride;thiocyanato thiocyanate.
What is the SMILES notation for potassium;sodium;hydride;thiocyanato thiocyanate?
The canonical SMILES for potassium;sodium;hydride;thiocyanato thiocyanate is N#CSSC#N.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;hydride;thiocyanato thiocyanate?
The InChIKey is CLWYGQYNHLHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2S2.K.Na.2H/c3-1-5-6-2-4;;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;hydride;thiocyanato thiocyanate?
potassium;sodium;hydride;thiocyanato thiocyanate has a molecular weight of 180.27 g/mol, XLogP of -4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;hydride;thiocyanato thiocyanate is sourced from PubChem (CID 173357519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).