methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)

C4H9O5Rf2S2- — CID 58205493

IUPACmethyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)
SMILESCOS(=O)(=O)C[CH-]S(C)(=O)=O.[Rf].[Rf]
InChIInChI=1S/C4H9O5S2.2Rf/c1-9-11(7,8)4-3-10(2,5)6;;/h3H,4H2,1-2H3;;/q-1;;
InChIKeyKFHOYRCXEXPCNP-UHFFFAOYSA-N
MW735.25 g/mol
LogP-0.83
Rot. Bonds4

About methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)

methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium) (PubChem CID 58205493) has the molecular formula C4H9O5Rf2S2- and a molecular weight of 735.25 g/mol. Its IUPAC name is methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium).

Molecular Properties

Compound Namemethyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)
PubChem CID58205493
Molecular FormulaC4H9O5Rf2S2-
Molecular Weight735.25 g/mol
Exact Mass735.23
IUPAC Namemethyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)
SMILESCOS(=O)(=O)C[CH-]S(C)(=O)=O.[Rf].[Rf]
InChIInChI=1S/C4H9O5S2.2Rf/c1-9-11(7,8)4-3-10(2,5)6;;/h3H,4H2,1-2H3;;/q-1;;
InChIKeyKFHOYRCXEXPCNP-UHFFFAOYSA-N
XLogP-0.83
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500735.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)?
The IUPAC name of methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium) (CID 58205493) is methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium).
What is the SMILES notation for methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)?
The canonical SMILES for methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium) is COS(=O)(=O)C[CH-]S(C)(=O)=O.[Rf].[Rf].
What is the InChIKey of methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)?
The InChIKey is KFHOYRCXEXPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O5S2.2Rf/c1-9-11(7,8)4-3-10(2,5)6;;/h3H,4H2,1-2H3;;/q-1;;.
What are the key properties of methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium)?
methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium) has a molecular weight of 735.25 g/mol, XLogP of -0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfonylethanesulfonate;bis(rutherfordium) is sourced from PubChem (CID 58205493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).