disodium;sulfuric acid;sulfide

H2Na2O4S2 — CID 18783555

IUPACdisodium;sulfuric acid;sulfide
SMILESO=S(=O)(O)O.[Na+].[Na+].[S-2]
InChIInChI=1S/2Na.H2O4S.S/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+1;;-2
InChIKeyXTHCSHLLMNWUNM-UHFFFAOYSA-N
MW176.13 g/mol
LogP-6.65
Rot. Bonds

About disodium;sulfuric acid;sulfide

disodium;sulfuric acid;sulfide (PubChem CID 18783555) has the molecular formula H2Na2O4S2 and a molecular weight of 176.13 g/mol. Its IUPAC name is disodium;sulfuric acid;sulfide.

Molecular Properties

Compound Namedisodium;sulfuric acid;sulfide
PubChem CID18783555
Molecular FormulaH2Na2O4S2
Molecular Weight176.13 g/mol
Exact Mass175.92
IUPAC Namedisodium;sulfuric acid;sulfide
SMILESO=S(=O)(O)O.[Na+].[Na+].[S-2]
InChIInChI=1S/2Na.H2O4S.S/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+1;;-2
InChIKeyXTHCSHLLMNWUNM-UHFFFAOYSA-N
XLogP-6.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-6.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;sulfuric acid;sulfide?
The IUPAC name of disodium;sulfuric acid;sulfide (CID 18783555) is disodium;sulfuric acid;sulfide.
What is the SMILES notation for disodium;sulfuric acid;sulfide?
The canonical SMILES for disodium;sulfuric acid;sulfide is O=S(=O)(O)O.[Na+].[Na+].[S-2].
What is the InChIKey of disodium;sulfuric acid;sulfide?
The InChIKey is XTHCSHLLMNWUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2Na.H2O4S.S/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+1;;-2.
What are the key properties of disodium;sulfuric acid;sulfide?
disodium;sulfuric acid;sulfide has a molecular weight of 176.13 g/mol, XLogP of -6.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;sulfuric acid;sulfide is sourced from PubChem (CID 18783555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).