ethoxysulfonyl ethenesulfonate

C4H8O6S2 — CID 56628394

IUPACethoxysulfonyl ethenesulfonate
SMILESC=CS(=O)(=O)OS(=O)(=O)OCC
InChIInChI=1S/C4H8O6S2/c1-3-9-12(7,8)10-11(5,6)4-2/h4H,2-3H2,1H3
InChIKeyNHAYZYIAHSMHEJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.24
Rot. Bonds5

About ethoxysulfonyl ethenesulfonate

ethoxysulfonyl ethenesulfonate (PubChem CID 56628394) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethoxysulfonyl ethenesulfonate.

Molecular Properties

Compound Nameethoxysulfonyl ethenesulfonate
PubChem CID56628394
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Nameethoxysulfonyl ethenesulfonate
SMILESC=CS(=O)(=O)OS(=O)(=O)OCC
InChIInChI=1S/C4H8O6S2/c1-3-9-12(7,8)10-11(5,6)4-2/h4H,2-3H2,1H3
InChIKeyNHAYZYIAHSMHEJ-UHFFFAOYSA-N
XLogP-0.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethoxysulfonyl ethenesulfonate?
The IUPAC name of ethoxysulfonyl ethenesulfonate (CID 56628394) is ethoxysulfonyl ethenesulfonate.
What is the SMILES notation for ethoxysulfonyl ethenesulfonate?
The canonical SMILES for ethoxysulfonyl ethenesulfonate is C=CS(=O)(=O)OS(=O)(=O)OCC.
What is the InChIKey of ethoxysulfonyl ethenesulfonate?
The InChIKey is NHAYZYIAHSMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c1-3-9-12(7,8)10-11(5,6)4-2/h4H,2-3H2,1H3.
What are the key properties of ethoxysulfonyl ethenesulfonate?
ethoxysulfonyl ethenesulfonate has a molecular weight of 216.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysulfonyl ethenesulfonate is sourced from PubChem (CID 56628394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).