Trimethylsulfoxonium Bromide - CAS 25596-24-1

Catalog:	BB018969
Product Name:	Trimethylsulfoxonium Bromide
CAS:	25596-24-1
Synonyms:	0; 0

Technical Data

Patents

Computed Properties

Description:	Trimethylsulfoxonium Bromide (CAS# 25596-24-1) is a useful research chemical.
Molecular Weight:	173.07
Molecular Formula:	C3H9BrOS
Canonical SMILES:	C[S+](=O)(C)C.[Br-]
InChI:	InChI=1S/C3H9OS.BrH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChI Key:	KEPJZBFFLDRKSF-UHFFFAOYSA-M
LogP:	-2.62070

Publication Number	Title	Priority Date
WO-2021177442-A1	Azole derivative, method for producing azole derivative, agent for agricultural and horticultural use, and industrial material protection agent	20200306
GB-2581208-A	A novel form of metconazole, a process for its preperation and use of the same	20190211
WO-2020164287-A1	A novel form of metconazole, a process for its preparation and use of the same	20190211
CN-109293602-B	Epoxiconazole intermediate and preparation method of epoxiconazole	20180926
WO-2020053196-A1	Method for the biocatalytic alkylation of a substrate	20180910

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Complexity:	53
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.95575
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.95575
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0