1,2-disulfonylethene

C2O4S2 — CID 87271735

IUPAC1,2-disulfonylethene
SMILESO=S(=O)=C=C=S(=O)=O
InChIInChI=1S/C2O4S2/c3-7(4)1-2-8(5)6
InChIKeyLDNALYXBKKZPJN-UHFFFAOYSA-N
MW152.15 g/mol
LogP-1.90
Rot. Bonds

About 1,2-disulfonylethene

1,2-disulfonylethene (PubChem CID 87271735) has the molecular formula C2O4S2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1,2-disulfonylethene.

Molecular Properties

Compound Name1,2-disulfonylethene
PubChem CID87271735
Molecular FormulaC2O4S2
Molecular Weight152.15 g/mol
Exact Mass151.92
IUPAC Name1,2-disulfonylethene
SMILESO=S(=O)=C=C=S(=O)=O
InChIInChI=1S/C2O4S2/c3-7(4)1-2-8(5)6
InChIKeyLDNALYXBKKZPJN-UHFFFAOYSA-N
XLogP-1.90
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disulfonylmethane
CID 18991891
arsane;sulfur trioxide
CID 174416587
2-sulfonylpropane
CID 21225910
CID 173490862
CID 173490862
2-sulfonylethenyl hypofluorite
CID 175809263
diimino(oxo)-λ6-sulfane
CID 141124638
methylsulfinylmethane
CID 21183497
azane;sulfane;sulfur trioxide
CID 173410692
sulfur monoxide;sulfur trioxide
CID 158190019
3-methylbut-1-yne-1-sulfinate
CID 91604791
2-methyl-3-sulfonylprop-2-enoic acid
CID 88835152
[methyl(oxo)-λ6-sulfanylidyne]methanol
CID 143718873

Frequently Asked Questions

What is the IUPAC name of 1,2-disulfonylethene?
The IUPAC name of 1,2-disulfonylethene (CID 87271735) is 1,2-disulfonylethene.
What is the SMILES notation for 1,2-disulfonylethene?
The canonical SMILES for 1,2-disulfonylethene is O=S(=O)=C=C=S(=O)=O.
What is the InChIKey of 1,2-disulfonylethene?
The InChIKey is LDNALYXBKKZPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2O4S2/c3-7(4)1-2-8(5)6.
What are the key properties of 1,2-disulfonylethene?
1,2-disulfonylethene has a molecular weight of 152.15 g/mol, XLogP of -1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-disulfonylethene is sourced from PubChem (CID 87271735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).