azane;sulfurous acid;dihydrate

H12N2O5S — CID 172742150

IUPACazane;sulfurous acid;dihydrate
SMILESN.N.O.O.O=S(O)O
InChIInChI=1S/2H3N.H2O3S.2H2O/c;;1-4(2)3;;/h2*1H3;(H2,1,2,3);2*1H2
InChIKeyJGALYCHYIGLOGX-UHFFFAOYSA-N
MW152.17 g/mol
LogP-1.64
Rot. Bonds

About azane;sulfurous acid;dihydrate

azane;sulfurous acid;dihydrate (PubChem CID 172742150) has the molecular formula H12N2O5S and a molecular weight of 152.17 g/mol. Its IUPAC name is azane;sulfurous acid;dihydrate.

Molecular Properties

Compound Nameazane;sulfurous acid;dihydrate
PubChem CID172742150
Molecular FormulaH12N2O5S
Molecular Weight152.17 g/mol
Exact Mass152.05
IUPAC Nameazane;sulfurous acid;dihydrate
SMILESN.N.O.O.O=S(O)O
InChIInChI=1S/2H3N.H2O3S.2H2O/c;;1-4(2)3;;/h2*1H3;(H2,1,2,3);2*1H2
InChIKeyJGALYCHYIGLOGX-UHFFFAOYSA-N
XLogP-1.64
TPSA190.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;sulfurous acid;trihydrate
CID 173299945
CID 131842919
CID 131842919
gadolinium;sulfurous acid;trihydrate
CID 165362772
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
sodium;hydride;sulfurous acid;hydrate
CID 173091815
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
disodium;hydride;sulfurous acid;hydrate
CID 173356771
CID 139595971
CID 139595971
CID 162004424
CID 162004424
iron;sulfurous acid
CID 175438968
hydron;sulfurous acid
CID 173020149
arsane;sulfurous acid
CID 173343664

Frequently Asked Questions

What is the IUPAC name of azane;sulfurous acid;dihydrate?
The IUPAC name of azane;sulfurous acid;dihydrate (CID 172742150) is azane;sulfurous acid;dihydrate.
What is the SMILES notation for azane;sulfurous acid;dihydrate?
The canonical SMILES for azane;sulfurous acid;dihydrate is N.N.O.O.O=S(O)O.
What is the InChIKey of azane;sulfurous acid;dihydrate?
The InChIKey is JGALYCHYIGLOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H2O3S.2H2O/c;;1-4(2)3;;/h2*1H3;(H2,1,2,3);2*1H2.
What are the key properties of azane;sulfurous acid;dihydrate?
azane;sulfurous acid;dihydrate has a molecular weight of 152.17 g/mol, XLogP of -1.64, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfurous acid;dihydrate is sourced from PubChem (CID 172742150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).