oxalonitrile;sulfane;sulfuric acid

C2H4N2O4S2 — CID 174830241

IUPACoxalonitrile;sulfane;sulfuric acid
SMILESN#CC#N.O=S(=O)(O)O.S
InChIInChI=1S/C2N2.H2O4S.H2S/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
InChIKeyNANBEZNDJJOLGR-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.51
Rot. Bonds

About oxalonitrile;sulfane;sulfuric acid

oxalonitrile;sulfane;sulfuric acid (PubChem CID 174830241) has the molecular formula C2H4N2O4S2 and a molecular weight of 184.20 g/mol. Its IUPAC name is oxalonitrile;sulfane;sulfuric acid.

Molecular Properties

Compound Nameoxalonitrile;sulfane;sulfuric acid
PubChem CID174830241
Molecular FormulaC2H4N2O4S2
Molecular Weight184.20 g/mol
Exact Mass183.96
IUPAC Nameoxalonitrile;sulfane;sulfuric acid
SMILESN#CC#N.O=S(=O)(O)O.S
InChIInChI=1S/C2N2.H2O4S.H2S/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
InChIKeyNANBEZNDJJOLGR-UHFFFAOYSA-N
XLogP-0.51
TPSA122.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 86222721
sulfane;sulfuric acid;hydrate
CID 172737494
iron;sulfuric acid;titanium;hydrate
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sulfuric acid;titanium
CID 22253908
sulfuric acid;tridecahydrate
CID 71366893
bis(acetonitrile);sulfuric acid
CID 174658291
chromium;sulfuric acid;tetrahydrate
CID 173200783
platinum;sulfuric acid;tetrahydrate
CID 131883452
λ2-plumbane;sulfuric acid;trihydrate
CID 175526604
sulfuric acid;titanium;zirconium
CID 174852888
sulfuric acid;vanadium;hexahydrate
CID 174048593
dysprosium;sulfuric acid;octahydrate
CID 173060247

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;sulfane;sulfuric acid?
The IUPAC name of oxalonitrile;sulfane;sulfuric acid (CID 174830241) is oxalonitrile;sulfane;sulfuric acid.
What is the SMILES notation for oxalonitrile;sulfane;sulfuric acid?
The canonical SMILES for oxalonitrile;sulfane;sulfuric acid is N#CC#N.O=S(=O)(O)O.S.
What is the InChIKey of oxalonitrile;sulfane;sulfuric acid?
The InChIKey is NANBEZNDJJOLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.H2O4S.H2S/c3-1-2-4;1-5(2,3)4;/h;(H2,1,2,3,4);1H2.
What are the key properties of oxalonitrile;sulfane;sulfuric acid?
oxalonitrile;sulfane;sulfuric acid has a molecular weight of 184.20 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;sulfane;sulfuric acid is sourced from PubChem (CID 174830241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).