sodium;hydride;sulfo acetate

C2H5NaO5S — CID 173308098

IUPACsodium;hydride;sulfo acetate
SMILESCC(=O)OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C2H4O5S.Na.H/c1-2(3)7-8(4,5)6;;/h1H3,(H,4,5,6);;/q;+1;-1
InChIKeySAHZAFNOGSMNLK-UHFFFAOYSA-N
MW164.11 g/mol
LogP-3.53
Rot. Bonds1

About sodium;hydride;sulfo acetate

sodium;hydride;sulfo acetate (PubChem CID 173308098) has the molecular formula C2H5NaO5S and a molecular weight of 164.11 g/mol. Its IUPAC name is sodium;hydride;sulfo acetate.

Molecular Properties

Compound Namesodium;hydride;sulfo acetate
PubChem CID173308098
Molecular FormulaC2H5NaO5S
Molecular Weight164.11 g/mol
Exact Mass163.98
IUPAC Namesodium;hydride;sulfo acetate
SMILESCC(=O)OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C2H4O5S.Na.H/c1-2(3)7-8(4,5)6;;/h1H3,(H,4,5,6);;/q;+1;-1
InChIKeySAHZAFNOGSMNLK-UHFFFAOYSA-N
XLogP-3.53
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
CID 174241063
tetralithium;disulfo carbonate;hydride
CID 174843261
sodium;hydride;sulfo 2,2-dimethylpropanoate
CID 174143943
zinc sulfo carbonate
CID 23463769
dicalcium;disulfo carbonate;hydride;zinc
CID 174696696
dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
bis(acetyloxysulfonyl) butanedioate
CID 118268236
methanesulfonic acid;methyl acetate
CID 172690689
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181
2-acetyloxysulfonylethanesulfonic acid
CID 174889510
sodium;azane;tert-butyl hydrogen sulfate;hydride
CID 173398324

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfo acetate?
The IUPAC name of sodium;hydride;sulfo acetate (CID 173308098) is sodium;hydride;sulfo acetate.
What is the SMILES notation for sodium;hydride;sulfo acetate?
The canonical SMILES for sodium;hydride;sulfo acetate is CC(=O)OS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfo acetate?
The InChIKey is SAHZAFNOGSMNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.Na.H/c1-2(3)7-8(4,5)6;;/h1H3,(H,4,5,6);;/q;+1;-1.
What are the key properties of sodium;hydride;sulfo acetate?
sodium;hydride;sulfo acetate has a molecular weight of 164.11 g/mol, XLogP of -3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfo acetate is sourced from PubChem (CID 173308098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).