sodium;ethanethiol;hydride;sulfuric acid

C2H9NaO4S2 — CID 173063169

IUPACsodium;ethanethiol;hydride;sulfuric acid
SMILESCCS.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H6S.Na.H2O4S.H/c1-2-3;;1-5(2,3)4;/h3H,2H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyXLQGOZBPAXUIDM-UHFFFAOYSA-N
MW184.21 g/mol
LogP-2.60
Rot. Bonds

About sodium;ethanethiol;hydride;sulfuric acid

sodium;ethanethiol;hydride;sulfuric acid (PubChem CID 173063169) has the molecular formula C2H9NaO4S2 and a molecular weight of 184.21 g/mol. Its IUPAC name is sodium;ethanethiol;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;ethanethiol;hydride;sulfuric acid
PubChem CID173063169
Molecular FormulaC2H9NaO4S2
Molecular Weight184.21 g/mol
Exact Mass183.98
IUPAC Namesodium;ethanethiol;hydride;sulfuric acid
SMILESCCS.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C2H6S.Na.H2O4S.H/c1-2-3;;1-5(2,3)4;/h3H,2H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyXLQGOZBPAXUIDM-UHFFFAOYSA-N
XLogP-2.60
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-2.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;ethanethiol;hydride;sulfuric acid?
The IUPAC name of sodium;ethanethiol;hydride;sulfuric acid (CID 173063169) is sodium;ethanethiol;hydride;sulfuric acid.
What is the SMILES notation for sodium;ethanethiol;hydride;sulfuric acid?
The canonical SMILES for sodium;ethanethiol;hydride;sulfuric acid is CCS.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;ethanethiol;hydride;sulfuric acid?
The InChIKey is XLQGOZBPAXUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.Na.H2O4S.H/c1-2-3;;1-5(2,3)4;/h3H,2H2,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;ethanethiol;hydride;sulfuric acid?
sodium;ethanethiol;hydride;sulfuric acid has a molecular weight of 184.21 g/mol, XLogP of -2.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanethiol;hydride;sulfuric acid is sourced from PubChem (CID 173063169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).