sodium;ethoxymethanedithioate;sulfuric acid

C3H7NaO5S3 — CID 174872749

IUPACsodium;ethoxymethanedithioate;sulfuric acid
SMILESCCOC(=S)[S-].O=S(=O)(O)O.[Na+]
InChIInChI=1S/C3H6OS2.Na.H2O4S/c1-2-4-3(5)6;;1-5(2,3)4/h2H2,1H3,(H,5,6);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyNUIIZBHLWXFRBC-UHFFFAOYSA-M
MW242.27 g/mol
LogP-2.79
Rot. Bonds1

About sodium;ethoxymethanedithioate;sulfuric acid

sodium;ethoxymethanedithioate;sulfuric acid (PubChem CID 174872749) has the molecular formula C3H7NaO5S3 and a molecular weight of 242.27 g/mol. Its IUPAC name is sodium;ethoxymethanedithioate;sulfuric acid.

Molecular Properties

Compound Namesodium;ethoxymethanedithioate;sulfuric acid
PubChem CID174872749
Molecular FormulaC3H7NaO5S3
Molecular Weight242.27 g/mol
Exact Mass241.94
IUPAC Namesodium;ethoxymethanedithioate;sulfuric acid
SMILESCCOC(=S)[S-].O=S(=O)(O)O.[Na+]
InChIInChI=1S/C3H6OS2.Na.H2O4S/c1-2-4-3(5)6;;1-5(2,3)4/h2H2,1H3,(H,5,6);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyNUIIZBHLWXFRBC-UHFFFAOYSA-M
XLogP-2.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-2.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

lithium ethoxymethanedithioate
CID 23681493
chromium(3+);tris(ethoxymethanedithioate)
CID 18626808
bis(ethoxymethanedithioate);palladium(2+)
CID 15779435
bis(ethoxymethanedithioate);platinum-191(2+)
CID 10048477
tris(ethoxymethanedithioate);nickel(3+)
CID 135393664
copper bis(ethoxymethanedithioate)
CID 13403244
CID 157091532
CID 157091532
(sulfodisulfanyl)carbothioyloxyethane
CID 101073941
sodium pentoxymethanedithioate
CID 23679263
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
calcium bis(propoxymethanedithioate)
CID 88779396
ethanol;methanamine;sulfuric acid
CID 174912363

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxymethanedithioate;sulfuric acid?
The IUPAC name of sodium;ethoxymethanedithioate;sulfuric acid (CID 174872749) is sodium;ethoxymethanedithioate;sulfuric acid.
What is the SMILES notation for sodium;ethoxymethanedithioate;sulfuric acid?
The canonical SMILES for sodium;ethoxymethanedithioate;sulfuric acid is CCOC(=S)[S-].O=S(=O)(O)O.[Na+].
What is the InChIKey of sodium;ethoxymethanedithioate;sulfuric acid?
The InChIKey is NUIIZBHLWXFRBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6OS2.Na.H2O4S/c1-2-4-3(5)6;;1-5(2,3)4/h2H2,1H3,(H,5,6);;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;ethoxymethanedithioate;sulfuric acid?
sodium;ethoxymethanedithioate;sulfuric acid has a molecular weight of 242.27 g/mol, XLogP of -2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxymethanedithioate;sulfuric acid is sourced from PubChem (CID 174872749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).