potassium;sodium;hydrogen sulfite;isothiocyanate

CHKNNaO3S2 — CID 163567600

IUPACpotassium;sodium;hydrogen sulfite;isothiocyanate
SMILESO=S([O-])O.[K+].[N-]=C=S.[Na+]
InChIInChI=1S/CNS.K.Na.H2O3S/c2-1-3;;;1-4(2)3/h;;;(H2,1,2,3)/q-1;2*+1;/p-1
InChIKeyZBISWISTICDGAG-UHFFFAOYSA-M
MW201.25 g/mol
LogP-5.99
Rot. Bonds

About potassium;sodium;hydrogen sulfite;isothiocyanate

potassium;sodium;hydrogen sulfite;isothiocyanate (PubChem CID 163567600) has the molecular formula CHKNNaO3S2 and a molecular weight of 201.25 g/mol. Its IUPAC name is potassium;sodium;hydrogen sulfite;isothiocyanate.

Molecular Properties

Compound Namepotassium;sodium;hydrogen sulfite;isothiocyanate
PubChem CID163567600
Molecular FormulaCHKNNaO3S2
Molecular Weight201.25 g/mol
Exact Mass200.89
IUPAC Namepotassium;sodium;hydrogen sulfite;isothiocyanate
SMILESO=S([O-])O.[K+].[N-]=C=S.[Na+]
InChIInChI=1S/CNS.K.Na.H2O3S/c2-1-3;;;1-4(2)3/h;;;(H2,1,2,3)/q-1;2*+1;/p-1
InChIKeyZBISWISTICDGAG-UHFFFAOYSA-M
XLogP-5.99
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-5.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;hydrogen sulfite;isothiocyanate?
The IUPAC name of potassium;sodium;hydrogen sulfite;isothiocyanate (CID 163567600) is potassium;sodium;hydrogen sulfite;isothiocyanate.
What is the SMILES notation for potassium;sodium;hydrogen sulfite;isothiocyanate?
The canonical SMILES for potassium;sodium;hydrogen sulfite;isothiocyanate is O=S([O-])O.[K+].[N-]=C=S.[Na+].
What is the InChIKey of potassium;sodium;hydrogen sulfite;isothiocyanate?
The InChIKey is ZBISWISTICDGAG-UHFFFAOYSA-M. The full InChI is InChI=1S/CNS.K.Na.H2O3S/c2-1-3;;;1-4(2)3/h;;;(H2,1,2,3)/q-1;2*+1;/p-1.
What are the key properties of potassium;sodium;hydrogen sulfite;isothiocyanate?
potassium;sodium;hydrogen sulfite;isothiocyanate has a molecular weight of 201.25 g/mol, XLogP of -5.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;hydrogen sulfite;isothiocyanate is sourced from PubChem (CID 163567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).