disodium;hydride;2-sulfoacetic acid

C2H6Na2O5S — CID 173199775

IUPACdisodium;hydride;2-sulfoacetic acid
SMILESO=C(O)CS(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H4O5S.2Na.2H/c3-2(4)1-8(5,6)7;;;;/h1H2,(H,3,4)(H,5,6,7);;;;/q;2*+1;2*-1
InChIKeyOTNKSELEPIGZCG-UHFFFAOYSA-N
MW188.11 g/mol
LogP-6.81
Rot. Bonds2

About disodium;hydride;2-sulfoacetic acid

disodium;hydride;2-sulfoacetic acid (PubChem CID 173199775) has the molecular formula C2H6Na2O5S and a molecular weight of 188.11 g/mol. Its IUPAC name is disodium;hydride;2-sulfoacetic acid.

Molecular Properties

Compound Namedisodium;hydride;2-sulfoacetic acid
PubChem CID173199775
Molecular FormulaC2H6Na2O5S
Molecular Weight188.11 g/mol
Exact Mass187.97
IUPAC Namedisodium;hydride;2-sulfoacetic acid
SMILESO=C(O)CS(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H4O5S.2Na.2H/c3-2(4)1-8(5,6)7;;;;/h1H2,(H,3,4)(H,5,6,7);;;;/q;2*+1;2*-1
InChIKeyOTNKSELEPIGZCG-UHFFFAOYSA-N
XLogP-6.81
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-6.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;hydride;2-sulfoacetic acid?
The IUPAC name of disodium;hydride;2-sulfoacetic acid (CID 173199775) is disodium;hydride;2-sulfoacetic acid.
What is the SMILES notation for disodium;hydride;2-sulfoacetic acid?
The canonical SMILES for disodium;hydride;2-sulfoacetic acid is O=C(O)CS(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-sulfoacetic acid?
The InChIKey is OTNKSELEPIGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.2Na.2H/c3-2(4)1-8(5,6)7;;;;/h1H2,(H,3,4)(H,5,6,7);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;2-sulfoacetic acid?
disodium;hydride;2-sulfoacetic acid has a molecular weight of 188.11 g/mol, XLogP of -6.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-sulfoacetic acid is sourced from PubChem (CID 173199775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).