ethoxysulfonyl sulfite

C2H5O6S2- — CID 57240233

IUPACethoxysulfonyl sulfite
SMILESCCOS(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H6O6S2/c1-2-7-10(5,6)8-9(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyRXEKFZOMFAAKRM-UHFFFAOYSA-M
MW189.19 g/mol
LogP-0.92
Rot. Bonds4

About ethoxysulfonyl sulfite

ethoxysulfonyl sulfite (PubChem CID 57240233) has the molecular formula C2H5O6S2- and a molecular weight of 189.19 g/mol. Its IUPAC name is ethoxysulfonyl sulfite.

Molecular Properties

Compound Nameethoxysulfonyl sulfite
PubChem CID57240233
Molecular FormulaC2H5O6S2-
Molecular Weight189.19 g/mol
Exact Mass188.95
IUPAC Nameethoxysulfonyl sulfite
SMILESCCOS(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H6O6S2/c1-2-7-10(5,6)8-9(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyRXEKFZOMFAAKRM-UHFFFAOYSA-M
XLogP-0.92
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 159839688
CID 159839688
diethyl sulfate;sulfuric acid
CID 158458335
diethyl sulfate;iodoethane
CID 157176238
ethyl fluoro sulfate
CID 88599587
ethyl propyl sulfate;hydrochloride
CID 175489043
lithium;ethoxysulfonyl methanesulfonate;hydride
CID 174759292
dysprosium(3+);ethyl sulfate
CID 57346753
chlorosulfonyl sulfite
CID 174502663
ethyl sulfate;yttrium(3+)
CID 57361497
ethyl sulfate;thulium(3+)
CID 25022214
cadmium(2+);ethyl sulfate
CID 57361489
methylsulfonyloxymethyl sulfite
CID 58470984

Frequently Asked Questions

What is the IUPAC name of ethoxysulfonyl sulfite?
The IUPAC name of ethoxysulfonyl sulfite (CID 57240233) is ethoxysulfonyl sulfite.
What is the SMILES notation for ethoxysulfonyl sulfite?
The canonical SMILES for ethoxysulfonyl sulfite is CCOS(=O)(=O)OS(=O)[O-].
What is the InChIKey of ethoxysulfonyl sulfite?
The InChIKey is RXEKFZOMFAAKRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O6S2/c1-2-7-10(5,6)8-9(3)4/h2H2,1H3,(H,3,4)/p-1.
What are the key properties of ethoxysulfonyl sulfite?
ethoxysulfonyl sulfite has a molecular weight of 189.19 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysulfonyl sulfite is sourced from PubChem (CID 57240233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).