sodium;hydride;oxirane;sulfuric acid;hydrate

C2H9NaO6S — CID 174580635

IUPACsodium;hydride;oxirane;sulfuric acid;hydrate
SMILESC1CO1.O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H4O.Na.H2O4S.H2O.H/c1-2-3-1;;1-5(2,3)4;;/h1-2H2;;(H2,1,2,3,4);1H2;/q;+1;;;-1
InChIKeyAUJLAYOHWPIWTJ-UHFFFAOYSA-N
MW184.14 g/mol
LogP-4.34
Rot. Bonds

About sodium;hydride;oxirane;sulfuric acid;hydrate

sodium;hydride;oxirane;sulfuric acid;hydrate (PubChem CID 174580635) has the molecular formula C2H9NaO6S and a molecular weight of 184.14 g/mol. Its IUPAC name is sodium;hydride;oxirane;sulfuric acid;hydrate.

Molecular Properties

Compound Namesodium;hydride;oxirane;sulfuric acid;hydrate
PubChem CID174580635
Molecular FormulaC2H9NaO6S
Molecular Weight184.14 g/mol
Exact Mass184.00
IUPAC Namesodium;hydride;oxirane;sulfuric acid;hydrate
SMILESC1CO1.O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H4O.Na.H2O4S.H2O.H/c1-2-3-1;;1-5(2,3)4;;/h1-2H2;;(H2,1,2,3,4);1H2;/q;+1;;;-1
InChIKeyAUJLAYOHWPIWTJ-UHFFFAOYSA-N
XLogP-4.34
TPSA118.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-4.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;oxirane;sulfuric acid;hydrate?
The IUPAC name of sodium;hydride;oxirane;sulfuric acid;hydrate (CID 174580635) is sodium;hydride;oxirane;sulfuric acid;hydrate.
What is the SMILES notation for sodium;hydride;oxirane;sulfuric acid;hydrate?
The canonical SMILES for sodium;hydride;oxirane;sulfuric acid;hydrate is C1CO1.O.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;oxirane;sulfuric acid;hydrate?
The InChIKey is AUJLAYOHWPIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.Na.H2O4S.H2O.H/c1-2-3-1;;1-5(2,3)4;;/h1-2H2;;(H2,1,2,3,4);1H2;/q;+1;;;-1.
What are the key properties of sodium;hydride;oxirane;sulfuric acid;hydrate?
sodium;hydride;oxirane;sulfuric acid;hydrate has a molecular weight of 184.14 g/mol, XLogP of -4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;oxirane;sulfuric acid;hydrate is sourced from PubChem (CID 174580635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).