sulfo cyanate;zinc

CHNO4SZn — CID 158790577

IUPACsulfo cyanate;zinc
SMILESN#COS(=O)(=O)O.[Zn]
InChIInChI=1S/CHNO4S.Zn/c2-1-6-7(3,4)5;/h(H,3,4,5);
InChIKeyISFJVAXOLBIJQK-UHFFFAOYSA-N
MW188.48 g/mol
LogP-0.72
Rot. Bonds1

About sulfo cyanate;zinc

sulfo cyanate;zinc (PubChem CID 158790577) has the molecular formula CHNO4SZn and a molecular weight of 188.48 g/mol. Its IUPAC name is sulfo cyanate;zinc.

Molecular Properties

Compound Namesulfo cyanate;zinc
PubChem CID158790577
Molecular FormulaCHNO4SZn
Molecular Weight188.48 g/mol
Exact Mass186.89
IUPAC Namesulfo cyanate;zinc
SMILESN#COS(=O)(=O)O.[Zn]
InChIInChI=1S/CHNO4S.Zn/c2-1-6-7(3,4)5;/h(H,3,4,5);
InChIKeyISFJVAXOLBIJQK-UHFFFAOYSA-N
XLogP-0.72
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.48
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 87100927
CID 87100927
methyl hydrogen sulfate;oxalonitrile
CID 161128067
acetonitrile;bis(N,N-dimethylmethanamine);sulfo hydrogen sulfate
CID 174669975
sulfuric acid;zinc;heptahydrate
CID 174726437
sulfuric acid;zinc;trihydrate
CID 173220597
bis(scandium);sulfuric acid;octahydrate
CID 86222721
sulfuric acid;zinc;hydrate
CID 175689602
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
potassium;cyano sulfate;gold(1+)
CID 172679776
oxalonitrile;sulfane;sulfuric acid
CID 174830241
bis(acetonitrile);sulfuric acid
CID 174658291
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435

Frequently Asked Questions

What is the IUPAC name of sulfo cyanate;zinc?
The IUPAC name of sulfo cyanate;zinc (CID 158790577) is sulfo cyanate;zinc.
What is the SMILES notation for sulfo cyanate;zinc?
The canonical SMILES for sulfo cyanate;zinc is N#COS(=O)(=O)O.[Zn].
What is the InChIKey of sulfo cyanate;zinc?
The InChIKey is ISFJVAXOLBIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO4S.Zn/c2-1-6-7(3,4)5;/h(H,3,4,5);.
What are the key properties of sulfo cyanate;zinc?
sulfo cyanate;zinc has a molecular weight of 188.48 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfo cyanate;zinc is sourced from PubChem (CID 158790577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).