CID 173431110

H6NNa3O6S2 — CID 173431110

IUPAC—
SMILES[H-].[H-].[H-].[H]N=S(=O)(O)OS(=O)(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/H3NO6S2.3Na.3H/c1-8(2,3)7-9(4,5)6;;;;;;/h(H2,1,2,3)(H,4,5,6);;;;;;/q;3*+1;3*-1
InChIKeyGHSJCZJNFGWUQK-UHFFFAOYSA-N
MW249.15 g/mol
LogP-9.41
Rot. Bonds2

About CID 173431110

CID 173431110 (PubChem CID 173431110) has the molecular formula H6NNa3O6S2 and a molecular weight of 249.15 g/mol.

Molecular Properties

Compound NameCID 173431110
PubChem CID173431110
Molecular FormulaH6NNa3O6S2
Molecular Weight249.15 g/mol
Exact Mass248.93
IUPAC Name—
SMILES[H-].[H-].[H-].[H]N=S(=O)(O)OS(=O)(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/H3NO6S2.3Na.3H/c1-8(2,3)7-9(4,5)6;;;;;;/h(H2,1,2,3)(H,4,5,6);;;;;;/q;3*+1;3*-1
InChIKeyGHSJCZJNFGWUQK-UHFFFAOYSA-N
XLogP-9.41
TPSA124.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 5-9.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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disodium;hydride;sulfuric acid
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CID 174862856
CID 174862856
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
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sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
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imino(sulfooxyimino)azanium
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Frequently Asked Questions

What is the IUPAC name of CID 173431110?
The IUPAC name of CID 173431110 (CID 173431110) is not available.
What is the SMILES notation for CID 173431110?
The canonical SMILES for CID 173431110 is [H-].[H-].[H-].[H]N=S(=O)(O)OS(=O)(=O)O.[Na+].[Na+].[Na+].
What is the InChIKey of CID 173431110?
The InChIKey is GHSJCZJNFGWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO6S2.3Na.3H/c1-8(2,3)7-9(4,5)6;;;;;;/h(H2,1,2,3)(H,4,5,6);;;;;;/q;3*+1;3*-1.
What are the key properties of CID 173431110?
CID 173431110 has a molecular weight of 249.15 g/mol, XLogP of -9.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173431110 is sourced from PubChem (CID 173431110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).