azane;phosphoric acid;sulfurous acid

H11N2O7PS — CID 173395602

IUPACazane;phosphoric acid;sulfurous acid
SMILESN.N.O=P(O)(O)O.O=S(O)O
InChIInChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3)
InChIKeyGWXSBTDDQJJXRF-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.92
Rot. Bonds

About azane;phosphoric acid;sulfurous acid

azane;phosphoric acid;sulfurous acid (PubChem CID 173395602) has the molecular formula H11N2O7PS and a molecular weight of 214.14 g/mol. Its IUPAC name is azane;phosphoric acid;sulfurous acid.

Molecular Properties

Compound Nameazane;phosphoric acid;sulfurous acid
PubChem CID173395602
Molecular FormulaH11N2O7PS
Molecular Weight214.14 g/mol
Exact Mass214.00
IUPAC Nameazane;phosphoric acid;sulfurous acid
SMILESN.N.O=P(O)(O)O.O=S(O)O
InChIInChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3)
InChIKeyGWXSBTDDQJJXRF-UHFFFAOYSA-N
XLogP-0.92
TPSA205.29 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphoric acid
CID 174789402
sodium;hydrogen sulfite;phosphoric acid
CID 160752930
azane;phosphoric acid;hydrate
CID 173222009
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;methane;phosphoric acid
CID 174060347
azane;sulfurous acid;trihydrate
CID 173299945
CID 172998917
CID 172998917
azane;iron;phosphoric acid
CID 174725470
azane;sulfurous acid;dihydrate
CID 172742150
azane;phosphoric acid;tungsten
CID 174566468
cesium;azane;hydride;phosphoric acid
CID 174611777
azane;hydroxylamine;phosphoric acid
CID 173277328

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;sulfurous acid?
The IUPAC name of azane;phosphoric acid;sulfurous acid (CID 173395602) is azane;phosphoric acid;sulfurous acid.
What is the SMILES notation for azane;phosphoric acid;sulfurous acid?
The canonical SMILES for azane;phosphoric acid;sulfurous acid is N.N.O=P(O)(O)O.O=S(O)O.
What is the InChIKey of azane;phosphoric acid;sulfurous acid?
The InChIKey is GWXSBTDDQJJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3).
What are the key properties of azane;phosphoric acid;sulfurous acid?
azane;phosphoric acid;sulfurous acid has a molecular weight of 214.14 g/mol, XLogP of -0.92, 0 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;sulfurous acid is sourced from PubChem (CID 173395602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).