azane;sulfurous acid;trihydrate

H14N2O6S — CID 173299945

IUPACazane;sulfurous acid;trihydrate
SMILESN.N.O.O.O.O=S(O)O
InChIInChI=1S/2H3N.H2O3S.3H2O/c;;1-4(2)3;;;/h2*1H3;(H2,1,2,3);3*1H2
InChIKeyKPGUPBZCGXBVAF-UHFFFAOYSA-N
MW170.19 g/mol
LogP-2.47
Rot. Bonds

About azane;sulfurous acid;trihydrate

azane;sulfurous acid;trihydrate (PubChem CID 173299945) has the molecular formula H14N2O6S and a molecular weight of 170.19 g/mol. Its IUPAC name is azane;sulfurous acid;trihydrate.

Molecular Properties

Compound Nameazane;sulfurous acid;trihydrate
PubChem CID173299945
Molecular FormulaH14N2O6S
Molecular Weight170.19 g/mol
Exact Mass170.06
IUPAC Nameazane;sulfurous acid;trihydrate
SMILESN.N.O.O.O.O=S(O)O
InChIInChI=1S/2H3N.H2O3S.3H2O/c;;1-4(2)3;;;/h2*1H3;(H2,1,2,3);3*1H2
InChIKeyKPGUPBZCGXBVAF-UHFFFAOYSA-N
XLogP-2.47
TPSA222.03 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-2.47
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;dihydrate
CID 172742150
gadolinium;sulfurous acid;trihydrate
CID 165362772
CID 131842919
CID 131842919
sodium;hydride;sulfurous acid;hydrate
CID 173091815
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
disodium;hydride;sulfurous acid;hydrate
CID 173356771
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971
iron;sulfurous acid
CID 175438968
arsane;sulfurous acid
CID 173343664

Frequently Asked Questions

What is the IUPAC name of azane;sulfurous acid;trihydrate?
The IUPAC name of azane;sulfurous acid;trihydrate (CID 173299945) is azane;sulfurous acid;trihydrate.
What is the SMILES notation for azane;sulfurous acid;trihydrate?
The canonical SMILES for azane;sulfurous acid;trihydrate is N.N.O.O.O.O=S(O)O.
What is the InChIKey of azane;sulfurous acid;trihydrate?
The InChIKey is KPGUPBZCGXBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H2O3S.3H2O/c;;1-4(2)3;;;/h2*1H3;(H2,1,2,3);3*1H2.
What are the key properties of azane;sulfurous acid;trihydrate?
azane;sulfurous acid;trihydrate has a molecular weight of 170.19 g/mol, XLogP of -2.47, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfurous acid;trihydrate is sourced from PubChem (CID 173299945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).