ethene;sulfuric acid

C2H8O8S2 — CID 88750210

IUPACethene;sulfuric acid
SMILESC=C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C2H4.2H2O4S/c1-2;2*1-5(2,3)4/h1-2H2;2*(H2,1,2,3,4)
InChIKeyGXTMIJUPGGKKEB-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.50
Rot. Bonds

About ethene;sulfuric acid

ethene;sulfuric acid (PubChem CID 88750210) has the molecular formula C2H8O8S2 and a molecular weight of 224.21 g/mol. Its IUPAC name is ethene;sulfuric acid.

Molecular Properties

Compound Nameethene;sulfuric acid
PubChem CID88750210
Molecular FormulaC2H8O8S2
Molecular Weight224.21 g/mol
Exact Mass223.97
IUPAC Nameethene;sulfuric acid
SMILESC=C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C2H4.2H2O4S/c1-2;2*1-5(2,3)4/h1-2H2;2*(H2,1,2,3,4)
InChIKeyGXTMIJUPGGKKEB-UHFFFAOYSA-N
XLogP-0.50
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;sulfuric acid?
The IUPAC name of ethene;sulfuric acid (CID 88750210) is ethene;sulfuric acid.
What is the SMILES notation for ethene;sulfuric acid?
The canonical SMILES for ethene;sulfuric acid is C=C.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of ethene;sulfuric acid?
The InChIKey is GXTMIJUPGGKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.2H2O4S/c1-2;2*1-5(2,3)4/h1-2H2;2*(H2,1,2,3,4).
What are the key properties of ethene;sulfuric acid?
ethene;sulfuric acid has a molecular weight of 224.21 g/mol, XLogP of -0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;sulfuric acid is sourced from PubChem (CID 88750210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).