bromosulfonyloxyethane

C2H5BrO3S — CID 154228998

IUPACbromosulfonyloxyethane
SMILESCCOS(=O)(=O)Br
InChIInChI=1S/C2H5BrO3S/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeySEWUNYQPXRHCBL-UHFFFAOYSA-N
MW189.03 g/mol
LogP0.66
Rot. Bonds2

About bromosulfonyloxyethane

bromosulfonyloxyethane (PubChem CID 154228998) has the molecular formula C2H5BrO3S and a molecular weight of 189.03 g/mol. Its IUPAC name is bromosulfonyloxyethane.

Molecular Properties

Compound Namebromosulfonyloxyethane
PubChem CID154228998
Molecular FormulaC2H5BrO3S
Molecular Weight189.03 g/mol
Exact Mass187.91
IUPAC Namebromosulfonyloxyethane
SMILESCCOS(=O)(=O)Br
InChIInChI=1S/C2H5BrO3S/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeySEWUNYQPXRHCBL-UHFFFAOYSA-N
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.03
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 159839688
CID 159839688
ethyl hydrogen sulfate
CID 6004
ethyl methanesulfonate;hydrofluoride
CID 174826290
dysprosium(3+);ethyl sulfate
CID 57346753
ethyl sulfate;yttrium(3+)
CID 57361497
diethyl sulfate;iodoethane
CID 157176238
diethyl sulfate;sulfuric acid
CID 158458335
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214
ethyl fluoro sulfate
CID 88599587
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997

Frequently Asked Questions

What is the IUPAC name of bromosulfonyloxyethane?
The IUPAC name of bromosulfonyloxyethane (CID 154228998) is bromosulfonyloxyethane.
What is the SMILES notation for bromosulfonyloxyethane?
The canonical SMILES for bromosulfonyloxyethane is CCOS(=O)(=O)Br.
What is the InChIKey of bromosulfonyloxyethane?
The InChIKey is SEWUNYQPXRHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO3S/c1-2-6-7(3,4)5/h2H2,1H3.
What are the key properties of bromosulfonyloxyethane?
bromosulfonyloxyethane has a molecular weight of 189.03 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromosulfonyloxyethane is sourced from PubChem (CID 154228998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).