sulfosulfonyloxyethane

C2H6O6S2 — CID 21219622

IUPACsulfosulfonyloxyethane
SMILESCCOS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/C2H6O6S2/c1-2-8-10(6,7)9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyPGVPIWXPTYUKQO-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.84
Rot. Bonds3

About sulfosulfonyloxyethane

sulfosulfonyloxyethane (PubChem CID 21219622) has the molecular formula C2H6O6S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is sulfosulfonyloxyethane.

Molecular Properties

Compound Namesulfosulfonyloxyethane
PubChem CID21219622
Molecular FormulaC2H6O6S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Namesulfosulfonyloxyethane
SMILESCCOS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/C2H6O6S2/c1-2-8-10(6,7)9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyPGVPIWXPTYUKQO-UHFFFAOYSA-N
XLogP-0.84
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.84
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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Frequently Asked Questions

What is the IUPAC name of sulfosulfonyloxyethane?
The IUPAC name of sulfosulfonyloxyethane (CID 21219622) is sulfosulfonyloxyethane.
What is the SMILES notation for sulfosulfonyloxyethane?
The canonical SMILES for sulfosulfonyloxyethane is CCOS(=O)(=O)S(=O)(=O)O.
What is the InChIKey of sulfosulfonyloxyethane?
The InChIKey is PGVPIWXPTYUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2/c1-2-8-10(6,7)9(3,4)5/h2H2,1H3,(H,3,4,5).
What are the key properties of sulfosulfonyloxyethane?
sulfosulfonyloxyethane has a molecular weight of 190.20 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfosulfonyloxyethane is sourced from PubChem (CID 21219622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).