dipotassium;cyanate;thiocyanate

C2K2N2OS — CID 18352859

IUPACdipotassium;cyanate;thiocyanate
SMILESN#C[O-].N#C[S-].[K+].[K+]
InChIInChI=1S/CHNO.CHNS.2K/c2*2-1-3;;/h2*3H;;/q;;2*+1/p-2
InChIKeyHHVQDIKNGHZHBN-UHFFFAOYSA-L
MW178.30 g/mol
LogP-7.15
Rot. Bonds

About dipotassium;cyanate;thiocyanate

dipotassium;cyanate;thiocyanate (PubChem CID 18352859) has the molecular formula C2K2N2OS and a molecular weight of 178.30 g/mol. Its IUPAC name is dipotassium;cyanate;thiocyanate.

Molecular Properties

Compound Namedipotassium;cyanate;thiocyanate
PubChem CID18352859
Molecular FormulaC2K2N2OS
Molecular Weight178.30 g/mol
Exact Mass177.90
IUPAC Namedipotassium;cyanate;thiocyanate
SMILESN#C[O-].N#C[S-].[K+].[K+]
InChIInChI=1S/CHNO.CHNS.2K/c2*2-1-3;;/h2*3H;;/q;;2*+1/p-2
InChIKeyHHVQDIKNGHZHBN-UHFFFAOYSA-L
XLogP-7.15
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 5-7.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;cyanate;thiocyanate?
The IUPAC name of dipotassium;cyanate;thiocyanate (CID 18352859) is dipotassium;cyanate;thiocyanate.
What is the SMILES notation for dipotassium;cyanate;thiocyanate?
The canonical SMILES for dipotassium;cyanate;thiocyanate is N#C[O-].N#C[S-].[K+].[K+].
What is the InChIKey of dipotassium;cyanate;thiocyanate?
The InChIKey is HHVQDIKNGHZHBN-UHFFFAOYSA-L. The full InChI is InChI=1S/CHNO.CHNS.2K/c2*2-1-3;;/h2*3H;;/q;;2*+1/p-2.
What are the key properties of dipotassium;cyanate;thiocyanate?
dipotassium;cyanate;thiocyanate has a molecular weight of 178.30 g/mol, XLogP of -7.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;cyanate;thiocyanate is sourced from PubChem (CID 18352859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).