[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate

C6H8O6S2 — CID 87857319

IUPAC[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate
SMILESC=CS(=O)(=O)O/C=C/OS(=O)(=O)C=C
InChIInChI=1S/C6H8O6S2/c1-3-13(7,8)11-5-6-12-14(9,10)4-2/h3-6H,1-2H2/b6-5+
InChIKeyRANDGKCKXNOHPW-AATRIKPKSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds6

About [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate

[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate (PubChem CID 87857319) has the molecular formula C6H8O6S2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate.

Molecular Properties

Compound Name[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate
PubChem CID87857319
Molecular FormulaC6H8O6S2
Molecular Weight240.26 g/mol
Exact Mass239.98
IUPAC Name[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate
SMILESC=CS(=O)(=O)O/C=C/OS(=O)(=O)C=C
InChIInChI=1S/C6H8O6S2/c1-3-13(7,8)11-5-6-12-14(9,10)4-2/h3-6H,1-2H2/b6-5+
InChIKeyRANDGKCKXNOHPW-AATRIKPKSA-N
XLogP0.44
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate?
The IUPAC name of [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate (CID 87857319) is [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate.
What is the SMILES notation for [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate?
The canonical SMILES for [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate is C=CS(=O)(=O)O/C=C/OS(=O)(=O)C=C.
What is the InChIKey of [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate?
The InChIKey is RANDGKCKXNOHPW-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8O6S2/c1-3-13(7,8)11-5-6-12-14(9,10)4-2/h3-6H,1-2H2/b6-5+.
What are the key properties of [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate?
[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate has a molecular weight of 240.26 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate is sourced from PubChem (CID 87857319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).