sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane

C8H17NaO6S2 — CID 140834460

IUPACsodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane
SMILESCCOCCOCCOCCSS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H18O6S2.Na/c1-2-12-3-4-13-5-6-14-7-8-15-16(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyUFXFWUYMQABAJV-UHFFFAOYSA-M
MW296.34 g/mol
LogP-2.75
Rot. Bonds11

About sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane

sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane (PubChem CID 140834460) has the molecular formula C8H17NaO6S2 and a molecular weight of 296.34 g/mol. Its IUPAC name is sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane.

Molecular Properties

Compound Namesodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane
PubChem CID140834460
Molecular FormulaC8H17NaO6S2
Molecular Weight296.34 g/mol
Exact Mass296.04
IUPAC Namesodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane
SMILESCCOCCOCCOCCSS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H18O6S2.Na/c1-2-12-3-4-13-5-6-14-7-8-15-16(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyUFXFWUYMQABAJV-UHFFFAOYSA-M
XLogP-2.75
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
CID 5047788
sodium 2-(2-ethoxyethoxy)ethanolate
CID 23709816
disodium;ethoxyethane;sulfate
CID 158792070
sodium;1,2-diethoxyethane;hydride
CID 174903036
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
sodium 4-ethoxybutane-1-sulfonate
CID 58922096
S-[2-(2-ethoxyethoxy)ethyl] ethanethioate
CID 10607788
dialuminum;ethoxyethane;trisulfate
CID 174817386
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
sodium;ethoxyethane;ethoxy sulfate
CID 88747488
1,2-diethoxyethane;hydrofluoride
CID 175535770
sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754

Frequently Asked Questions

What is the IUPAC name of sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane?
The IUPAC name of sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane (CID 140834460) is sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane.
What is the SMILES notation for sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane?
The canonical SMILES for sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane is CCOCCOCCOCCSS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane?
The InChIKey is UFXFWUYMQABAJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O6S2.Na/c1-2-12-3-4-13-5-6-14-7-8-15-16(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane?
sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane has a molecular weight of 296.34 g/mol, XLogP of -2.75, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane is sourced from PubChem (CID 140834460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).