ethenylsulfonyl sulfite

C2H3O5S2- — CID 118684485

IUPACethenylsulfonyl sulfite
SMILESC=CS(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H4O5S2/c1-2-9(5,6)7-8(3)4/h2H,1H2,(H,3,4)/p-1
InChIKeyYMJOSJJDKPBNEM-UHFFFAOYSA-M
MW171.17 g/mol
LogP-0.73
Rot. Bonds3

About ethenylsulfonyl sulfite

ethenylsulfonyl sulfite (PubChem CID 118684485) has the molecular formula C2H3O5S2- and a molecular weight of 171.17 g/mol. Its IUPAC name is ethenylsulfonyl sulfite.

Molecular Properties

Compound Nameethenylsulfonyl sulfite
PubChem CID118684485
Molecular FormulaC2H3O5S2-
Molecular Weight171.17 g/mol
Exact Mass170.94
IUPAC Nameethenylsulfonyl sulfite
SMILESC=CS(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H4O5S2/c1-2-9(5,6)7-8(3)4/h2H,1H2,(H,3,4)/p-1
InChIKeyYMJOSJJDKPBNEM-UHFFFAOYSA-M
XLogP-0.73
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chlorosulfonyl sulfite
CID 174502663
1,1,2,2,2-pentafluoroethyl ethenesulfonate
CID 90383879
5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
CID 87857105
ethoxysulfonyl sulfite
CID 57240233
1,1-difluoroethylsulfonyl sulfite
CID 167019443
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
fluoromethyl ethenesulfonate
CID 90383884
4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
CID 123832302
formylsulfonylformaldehyde;sulfinato sulfite
CID 174827798
ethenesulfinate;methane
CID 174592359
ethenesulfonate;holmium(3+)
CID 163217157
ethenesulfonate;rubidium(1+)
CID 140700043

Frequently Asked Questions

What is the IUPAC name of ethenylsulfonyl sulfite?
The IUPAC name of ethenylsulfonyl sulfite (CID 118684485) is ethenylsulfonyl sulfite.
What is the SMILES notation for ethenylsulfonyl sulfite?
The canonical SMILES for ethenylsulfonyl sulfite is C=CS(=O)(=O)OS(=O)[O-].
What is the InChIKey of ethenylsulfonyl sulfite?
The InChIKey is YMJOSJJDKPBNEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O5S2/c1-2-9(5,6)7-8(3)4/h2H,1H2,(H,3,4)/p-1.
What are the key properties of ethenylsulfonyl sulfite?
ethenylsulfonyl sulfite has a molecular weight of 171.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonyl sulfite is sourced from PubChem (CID 118684485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).