bromomethanesulfonyl bromide

CH2Br2O2S — CID 10977482

IUPACbromomethanesulfonyl bromide
SMILESO=S(=O)(Br)CBr
InChIInChI=1S/CH2Br2O2S/c2-1-6(3,4)5/h1H2
InChIKeyZUQDPSRFJGYOPL-UHFFFAOYSA-N
MW237.90 g/mol
LogP1.06
Rot. Bonds1

About bromomethanesulfonyl bromide

bromomethanesulfonyl bromide (PubChem CID 10977482) has the molecular formula CH2Br2O2S and a molecular weight of 237.90 g/mol. Its IUPAC name is bromomethanesulfonyl bromide.

Molecular Properties

Compound Namebromomethanesulfonyl bromide
PubChem CID10977482
Molecular FormulaCH2Br2O2S
Molecular Weight237.90 g/mol
Exact Mass235.81
IUPAC Namebromomethanesulfonyl bromide
SMILESO=S(=O)(Br)CBr
InChIInChI=1S/CH2Br2O2S/c2-1-6(3,4)5/h1H2
InChIKeyZUQDPSRFJGYOPL-UHFFFAOYSA-N
XLogP1.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.90
LogP ≤ 51.06
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 bromomethanesulfonyl bromide?
The IUPAC name of bromomethanesulfonyl bromide (CID 10977482) is bromomethanesulfonyl bromide.
What is the SMILES notation for bromomethanesulfonyl bromide?
The canonical SMILES for bromomethanesulfonyl bromide is O=S(=O)(Br)CBr.
What is the InChIKey of bromomethanesulfonyl bromide?
The InChIKey is ZUQDPSRFJGYOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Br2O2S/c2-1-6(3,4)5/h1H2.
What are the key properties of bromomethanesulfonyl bromide?
bromomethanesulfonyl bromide has a molecular weight of 237.90 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethanesulfonyl bromide is sourced from PubChem (CID 10977482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).