dibromo(methylsulfonyl)methane

C2H4Br2O2S — CID 13296766

IUPACdibromo(methylsulfonyl)methane
SMILESCS(=O)(=O)C(Br)Br
InChIInChI=1S/C2H4Br2O2S/c1-7(5,6)2(3)4/h2H,1H3
InChIKeyOENJSJLGTOJAOK-UHFFFAOYSA-N
MW251.93 g/mol
LogP1.10
Rot. Bonds1

About dibromo(methylsulfonyl)methane

dibromo(methylsulfonyl)methane (PubChem CID 13296766) has the molecular formula C2H4Br2O2S and a molecular weight of 251.93 g/mol. Its IUPAC name is dibromo(methylsulfonyl)methane.

Molecular Properties

Compound Namedibromo(methylsulfonyl)methane
PubChem CID13296766
Molecular FormulaC2H4Br2O2S
Molecular Weight251.93 g/mol
Exact Mass249.83
IUPAC Namedibromo(methylsulfonyl)methane
SMILESCS(=O)(=O)C(Br)Br
InChIInChI=1S/C2H4Br2O2S/c1-7(5,6)2(3)4/h2H,1H3
InChIKeyOENJSJLGTOJAOK-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.93
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromo(methylsulfonyl)methane?
The IUPAC name of dibromo(methylsulfonyl)methane (CID 13296766) is dibromo(methylsulfonyl)methane.
What is the SMILES notation for dibromo(methylsulfonyl)methane?
The canonical SMILES for dibromo(methylsulfonyl)methane is CS(=O)(=O)C(Br)Br.
What is the InChIKey of dibromo(methylsulfonyl)methane?
The InChIKey is OENJSJLGTOJAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2O2S/c1-7(5,6)2(3)4/h2H,1H3.
What are the key properties of dibromo(methylsulfonyl)methane?
dibromo(methylsulfonyl)methane has a molecular weight of 251.93 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo(methylsulfonyl)methane is sourced from PubChem (CID 13296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).