sulfamic acid;sulfurous acid

H5NO6S2 — CID 159581131

IUPACsulfamic acid;sulfurous acid
SMILESNS(=O)(=O)O.O=S(O)O
InChIInChI=1S/H3NO3S.H2O3S/c1-5(2,3)4;1-4(2)3/h(H3,1,2,3,4);(H2,1,2,3)
InChIKeyMJALKUDYJCTKDI-UHFFFAOYSA-N
MW179.17 g/mol
LogP-1.57
Rot. Bonds

About sulfamic acid;sulfurous acid

sulfamic acid;sulfurous acid (PubChem CID 159581131) has the molecular formula H5NO6S2 and a molecular weight of 179.17 g/mol. Its IUPAC name is sulfamic acid;sulfurous acid.

Molecular Properties

Compound Namesulfamic acid;sulfurous acid
PubChem CID159581131
Molecular FormulaH5NO6S2
Molecular Weight179.17 g/mol
Exact Mass178.96
IUPAC Namesulfamic acid;sulfurous acid
SMILESNS(=O)(=O)O.O=S(O)O
InChIInChI=1S/H3NO3S.H2O3S/c1-5(2,3)4;1-4(2)3/h(H3,1,2,3,4);(H2,1,2,3)
InChIKeyMJALKUDYJCTKDI-UHFFFAOYSA-N
XLogP-1.57
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sulfuric acid;sulfurous acid
CID 172712432
sulfamic acid;yttrium
CID 159754211
methane;sulfamic acid
CID 87277660
azane;sulfamic acid
CID 172811731
CID 131847531
CID 131847531
calcium;hydride;sulfuric acid;sulfurous acid
CID 173085822
ethane;sulfamic acid
CID 172846940
azane;sulfamic acid;sulfamide
CID 174286592
nickel;sulfamic acid;sulfuric acid
CID 173415674
ethenone;sulfamic acid;sulfur trioxide
CID 175031083
hydrogen peroxide;sulfurothioic O-acid;sulfurous acid
CID 18783594
silver;sulfurothioic O-acid;sulfurous acid
CID 173330609

Frequently Asked Questions

What is the IUPAC name of sulfamic acid;sulfurous acid?
The IUPAC name of sulfamic acid;sulfurous acid (CID 159581131) is sulfamic acid;sulfurous acid.
What is the SMILES notation for sulfamic acid;sulfurous acid?
The canonical SMILES for sulfamic acid;sulfurous acid is NS(=O)(=O)O.O=S(O)O.
What is the InChIKey of sulfamic acid;sulfurous acid?
The InChIKey is MJALKUDYJCTKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO3S.H2O3S/c1-5(2,3)4;1-4(2)3/h(H3,1,2,3,4);(H2,1,2,3).
What are the key properties of sulfamic acid;sulfurous acid?
sulfamic acid;sulfurous acid has a molecular weight of 179.17 g/mol, XLogP of -1.57, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamic acid;sulfurous acid is sourced from PubChem (CID 159581131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).