azane;sulfuric acid;dihydrochloride

H16Cl2N4O4S — CID 173220026

IUPACazane;sulfuric acid;dihydrochloride
SMILESCl.Cl.N.N.N.N.O=S(=O)(O)O
InChIInChI=1S/2ClH.4H3N.H2O4S/c;;;;;;1-5(2,3)4/h2*1H;4*1H3;(H2,1,2,3,4)
InChIKeyGKCQPYABLXDSBV-UHFFFAOYSA-N
MW239.13 g/mol
LogP0.84
Rot. Bonds

About azane;sulfuric acid;dihydrochloride

azane;sulfuric acid;dihydrochloride (PubChem CID 173220026) has the molecular formula H16Cl2N4O4S and a molecular weight of 239.13 g/mol. Its IUPAC name is azane;sulfuric acid;dihydrochloride.

Molecular Properties

Compound Nameazane;sulfuric acid;dihydrochloride
PubChem CID173220026
Molecular FormulaH16Cl2N4O4S
Molecular Weight239.13 g/mol
Exact Mass238.03
IUPAC Nameazane;sulfuric acid;dihydrochloride
SMILESCl.Cl.N.N.N.N.O=S(=O)(O)O
InChIInChI=1S/2ClH.4H3N.H2O4S/c;;;;;;1-5(2,3)4/h2*1H;4*1H3;(H2,1,2,3,4)
InChIKeyGKCQPYABLXDSBV-UHFFFAOYSA-N
XLogP0.84
TPSA214.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.13
LogP ≤ 50.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 156593771
CID 156593771
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azane;hydron;sulfuric acid
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Frequently Asked Questions

What is the IUPAC name of azane;sulfuric acid;dihydrochloride?
The IUPAC name of azane;sulfuric acid;dihydrochloride (CID 173220026) is azane;sulfuric acid;dihydrochloride.
What is the SMILES notation for azane;sulfuric acid;dihydrochloride?
The canonical SMILES for azane;sulfuric acid;dihydrochloride is Cl.Cl.N.N.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;sulfuric acid;dihydrochloride?
The InChIKey is GKCQPYABLXDSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.4H3N.H2O4S/c;;;;;;1-5(2,3)4/h2*1H;4*1H3;(H2,1,2,3,4).
What are the key properties of azane;sulfuric acid;dihydrochloride?
azane;sulfuric acid;dihydrochloride has a molecular weight of 239.13 g/mol, XLogP of 0.84, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfuric acid;dihydrochloride is sourced from PubChem (CID 173220026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).