methylsulfonyloxymethyl sulfite

C2H5O6S2- — CID 58470984

IUPACmethylsulfonyloxymethyl sulfite
SMILESCS(=O)(=O)OCOS(=O)[O-]
InChIInChI=1S/C2H6O6S2/c1-10(5,6)8-2-7-9(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyFQUIBYYMYHJSFW-UHFFFAOYSA-M
MW189.19 g/mol
LogP-1.27
Rot. Bonds4

About methylsulfonyloxymethyl sulfite

methylsulfonyloxymethyl sulfite (PubChem CID 58470984) has the molecular formula C2H5O6S2- and a molecular weight of 189.19 g/mol. Its IUPAC name is methylsulfonyloxymethyl sulfite.

Molecular Properties

Compound Namemethylsulfonyloxymethyl sulfite
PubChem CID58470984
Molecular FormulaC2H5O6S2-
Molecular Weight189.19 g/mol
Exact Mass188.95
IUPAC Namemethylsulfonyloxymethyl sulfite
SMILESCS(=O)(=O)OCOS(=O)[O-]
InChIInChI=1S/C2H6O6S2/c1-10(5,6)8-2-7-9(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyFQUIBYYMYHJSFW-UHFFFAOYSA-M
XLogP-1.27
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 ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxymethyl sulfite?
The IUPAC name of methylsulfonyloxymethyl sulfite (CID 58470984) is methylsulfonyloxymethyl sulfite.
What is the SMILES notation for methylsulfonyloxymethyl sulfite?
The canonical SMILES for methylsulfonyloxymethyl sulfite is CS(=O)(=O)OCOS(=O)[O-].
What is the InChIKey of methylsulfonyloxymethyl sulfite?
The InChIKey is FQUIBYYMYHJSFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O6S2/c1-10(5,6)8-2-7-9(3)4/h2H2,1H3,(H,3,4)/p-1.
What are the key properties of methylsulfonyloxymethyl sulfite?
methylsulfonyloxymethyl sulfite has a molecular weight of 189.19 g/mol, XLogP of -1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxymethyl sulfite is sourced from PubChem (CID 58470984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).