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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Sulfuryl Bromide

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 Formula	Br₂O₂S
Molecular Weight	223.87 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	223.79653 g/mol
Monoisotopic Mass	221.79858 g/mol
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	85.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1