2-prop-2-enylsulfonyloxyethenesulfonic acid

C5H8O6S2 — CID 87493801

IUPAC2-prop-2-enylsulfonyloxyethenesulfonic acid
SMILESC=CCS(=O)(=O)OC=CS(=O)(=O)O
InChIInChI=1S/C5H8O6S2/c1-2-4-13(9,10)11-3-5-12(6,7)8/h2-3,5H,1,4H2,(H,6,7,8)
InChIKeyCTSDEJLPHDDYQE-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.12
Rot. Bonds5

About 2-prop-2-enylsulfonyloxyethenesulfonic acid

2-prop-2-enylsulfonyloxyethenesulfonic acid (PubChem CID 87493801) has the molecular formula C5H8O6S2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-prop-2-enylsulfonyloxyethenesulfonic acid.

Molecular Properties

Compound Name2-prop-2-enylsulfonyloxyethenesulfonic acid
PubChem CID87493801
Molecular FormulaC5H8O6S2
Molecular Weight228.25 g/mol
Exact Mass227.98
IUPAC Name2-prop-2-enylsulfonyloxyethenesulfonic acid
SMILESC=CCS(=O)(=O)OC=CS(=O)(=O)O
InChIInChI=1S/C5H8O6S2/c1-2-4-13(9,10)11-3-5-12(6,7)8/h2-3,5H,1,4H2,(H,6,7,8)
InChIKeyCTSDEJLPHDDYQE-UHFFFAOYSA-N
XLogP-0.12
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonyloxyethenesulfonic acid?
The IUPAC name of 2-prop-2-enylsulfonyloxyethenesulfonic acid (CID 87493801) is 2-prop-2-enylsulfonyloxyethenesulfonic acid.
What is the SMILES notation for 2-prop-2-enylsulfonyloxyethenesulfonic acid?
The canonical SMILES for 2-prop-2-enylsulfonyloxyethenesulfonic acid is C=CCS(=O)(=O)OC=CS(=O)(=O)O.
What is the InChIKey of 2-prop-2-enylsulfonyloxyethenesulfonic acid?
The InChIKey is CTSDEJLPHDDYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6S2/c1-2-4-13(9,10)11-3-5-12(6,7)8/h2-3,5H,1,4H2,(H,6,7,8).
What are the key properties of 2-prop-2-enylsulfonyloxyethenesulfonic acid?
2-prop-2-enylsulfonyloxyethenesulfonic acid has a molecular weight of 228.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonyloxyethenesulfonic acid is sourced from PubChem (CID 87493801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).