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Dimethyl(methylthio)sulfonium tetrafluoroborate

Dimethyl(methylthio)sulfonium tetrafluoroborate - CAS 5799-67-7

Catalog:	BB029894
Product Name:	Dimethyl(methylthio)sulfonium tetrafluoroborate
CAS:	5799-67-7
Synonyms:	dimethyl(methylsulfanyl)sulfanium;tetrafluoroborate

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Computed Properties

IUPAC Name:	dimethyl(methylsulfanyl)sulfanium;tetrafluoroborate
Description:	Dimethyl(methylthio)sulfonium tetrafluoroborate (CAS# 5799-67-7) is a useful research chemical.
Molecular Weight:	196.04
Molecular Formula:	C3H9BF4S2
Canonical SMILES:	[B-](F)(F)(F)F.CS[S+](C)C
InChI:	InChI=1S/C3H9S2.BF4/c1-4-5(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
InChI Key:	LUOOXKXNWLQGLY-UHFFFAOYSA-N
Boiling Point:	408.8 °C at 760 mmHg
Purity:	> 97.0 % (T)
Density:	1.34 g/cm³
MDL:	MFCD00011806
LogP:	2.44230

Publication Number	Title	Priority Date
JP-6927401-B1	Thermoelectric conversion materials and thermoelectric conversion elements	20201126
CN-112175182-A	Positive photosensitive polyesteramide resin and composition using same	20200930
US-2019226018-A1	Sequencing additive	20180124
WO-2019147787-A1	Sequencing additive	20180124
EP-3743517-A1	Sequencing additive	20180124

PMID	Publication Date	Title	Journal
17027943	20070226	Evaluation of thioglycosides of Kdo as glycosyl donors	Carbohydrate research
15960524	20050624	Studies on the synthesis of (+/-)-stenine: a combined intramolecular [4 + 2]-cycloaddition/rearrangement cascade	The Journal of organic chemistry
14703376	20040109	An approach toward azacycles using photochemical and radical cyclizations of N-alkenyl substituted 5-thioxopyrrolidin-2-ones	The Journal of organic chemistry
12182624	20020823	Tandem Pummerer/Mannich cyclization cascade of alpha-sulfinylamides as a method to prepare aza-heterocycles	The Journal of organic chemistry
12003554	20020517	Synthesis of azapolycyclic systems via the intramolecular [4 + 2] cycloaddition chemistry of 2-(alkylthio)-5-amidofurans	The Journal of organic chemistry

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	38
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0174854
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.0174854
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0