ethane-1,2-diol;ethene;sulfurous acid

C4H14O8S2 — CID 174875455

IUPACethane-1,2-diol;ethene;sulfurous acid
SMILESC=C.O=S(O)O.O=S(O)O.OCCO
InChIInChI=1S/C2H6O2.C2H4.2H2O3S/c3-1-2-4;1-2;2*1-4(2)3/h3-4H,1-2H2;1-2H2;2*(H2,1,2,3)
InChIKeyQTQGABJVFNTSQQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.86
Rot. Bonds1

About ethane-1,2-diol;ethene;sulfurous acid

ethane-1,2-diol;ethene;sulfurous acid (PubChem CID 174875455) has the molecular formula C4H14O8S2 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;sulfurous acid.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;sulfurous acid
PubChem CID174875455
Molecular FormulaC4H14O8S2
Molecular Weight254.28 g/mol
Exact Mass254.01
IUPAC Nameethane-1,2-diol;ethene;sulfurous acid
SMILESC=C.O=S(O)O.O=S(O)O.OCCO
InChIInChI=1S/C2H6O2.C2H4.2H2O3S/c3-1-2-4;1-2;2*1-4(2)3/h3-4H,1-2H2;1-2H2;2*(H2,1,2,3)
InChIKeyQTQGABJVFNTSQQ-UHFFFAOYSA-N
XLogP-0.86
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;sulfurous acid?
The IUPAC name of ethane-1,2-diol;ethene;sulfurous acid (CID 174875455) is ethane-1,2-diol;ethene;sulfurous acid.
What is the SMILES notation for ethane-1,2-diol;ethene;sulfurous acid?
The canonical SMILES for ethane-1,2-diol;ethene;sulfurous acid is C=C.O=S(O)O.O=S(O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;sulfurous acid?
The InChIKey is QTQGABJVFNTSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H4.2H2O3S/c3-1-2-4;1-2;2*1-4(2)3/h3-4H,1-2H2;1-2H2;2*(H2,1,2,3).
What are the key properties of ethane-1,2-diol;ethene;sulfurous acid?
ethane-1,2-diol;ethene;sulfurous acid has a molecular weight of 254.28 g/mol, XLogP of -0.86, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;sulfurous acid is sourced from PubChem (CID 174875455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).