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Technical details about Sulfuryl Bromide, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Bromosulfone, Sulfonyl bromide, 74474-90-1, Dtxsid00551168
Molecular Formula
Br2O2S
Molecular Weight
223.87  g/mol
InChI Key
NBNBICNWNFQDDD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sulfuryl dibromide
2.1.2 InChI
InChI=1S/Br2O2S/c1-5(2,3)4
2.1.3 InChI Key
NBNBICNWNFQDDD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
O=S(=O)(Br)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Bromosulfone

2. Sulfonyl Bromide

3. 74474-90-1

4. Dtxsid00551168

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 223.87 g/mol
Molecular Formula Br2O2S
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass223.79653 g/mol
Monoisotopic Mass221.79858 g/mol
Topological Polar Surface Area42.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity85.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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