1-ethoxy-1-oxo-2-sulfosulfanylethane

C4H8O5S2 — CID 13308351

IUPAC1-ethoxy-1-oxo-2-sulfosulfanylethane
SMILESCCOC(=O)CSS(=O)(=O)O
InChIInChI=1S/C4H8O5S2/c1-2-9-4(5)3-10-11(6,7)8/h2-3H2,1H3,(H,6,7,8)
InChIKeyMUIYZVSXWNBDSV-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds4

About 1-ethoxy-1-oxo-2-sulfosulfanylethane

1-ethoxy-1-oxo-2-sulfosulfanylethane (PubChem CID 13308351) has the molecular formula C4H8O5S2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-ethoxy-1-oxo-2-sulfosulfanylethane.

Molecular Properties

Compound Name1-ethoxy-1-oxo-2-sulfosulfanylethane
PubChem CID13308351
Molecular FormulaC4H8O5S2
Molecular Weight200.24 g/mol
Exact Mass199.98
IUPAC Name1-ethoxy-1-oxo-2-sulfosulfanylethane
SMILESCCOC(=O)CSS(=O)(=O)O
InChIInChI=1S/C4H8O5S2/c1-2-9-4(5)3-10-11(6,7)8/h2-3H2,1H3,(H,6,7,8)
InChIKeyMUIYZVSXWNBDSV-UHFFFAOYSA-N
XLogP0.09
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
CID 86061361
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
ethyl 2-(2-methylsulfonylethylsulfanyl)acetate
CID 60672364
ethyl 2-bromosulfanylacetate
CID 12575404
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl 2-(2-hydroxyethylsulfanyl)acetate
CID 11030166
ethyl 2-(3-bromo-2-oxopropyl)sulfanylacetate
CID 58875079
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
CID 103485688
[1-amino-2-(2-ethoxy-2-oxoethyl)sulfanylethylidene]azanium chloride
CID 10680078
ethyl 2-(2,2-dimethoxyethylsulfanyl)acetate
CID 66222156
ethyl 2-(3-hydroxy-3-methylbutyl)sulfanylacetate
CID 79176458
ethyl 4-sulfamoylbutanoate
CID 61374945

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-oxo-2-sulfosulfanylethane?
The IUPAC name of 1-ethoxy-1-oxo-2-sulfosulfanylethane (CID 13308351) is 1-ethoxy-1-oxo-2-sulfosulfanylethane.
What is the SMILES notation for 1-ethoxy-1-oxo-2-sulfosulfanylethane?
The canonical SMILES for 1-ethoxy-1-oxo-2-sulfosulfanylethane is CCOC(=O)CSS(=O)(=O)O.
What is the InChIKey of 1-ethoxy-1-oxo-2-sulfosulfanylethane?
The InChIKey is MUIYZVSXWNBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5S2/c1-2-9-4(5)3-10-11(6,7)8/h2-3H2,1H3,(H,6,7,8).
What are the key properties of 1-ethoxy-1-oxo-2-sulfosulfanylethane?
1-ethoxy-1-oxo-2-sulfosulfanylethane has a molecular weight of 200.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-oxo-2-sulfosulfanylethane is sourced from PubChem (CID 13308351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).