Trimethylsulfoxonium iodide - CAS 1774-47-6

Catalog:	BB013289
Product Name:	Trimethylsulfoxonium iodide
CAS:	1774-47-6
Synonyms:	0

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Computed Properties

Description:	Trimethylsulfoxonium iodide (CAS# 1774-47-6) is used to synthesize methylene-transfer reagents that are used in the preparation of epoxides.
Molecular Weight:	220.07
Molecular Formula:	C3H9IOS
Canonical SMILES:	C[S+](=O)(C)C.[I-]
InChI:	InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChI Key:	BPLKQGGAXWRFOE-UHFFFAOYSA-M
Density:	g/cm3
Appearance:	Yellow crystalline powder
MDL:	MFCD00011899
LogP:	-2.62070

Publication Number	Title	Priority Date
CN-112592344-A	Indolo [2,3-b ] indole derivative and synthetic method thereof	20201118
AU-2020101052-A4	Indoleamine 2,3-dioxygenase inhibitors and their application in medicine	20200619
AU-2020101059-A4	Preparation method of indoleamine 2,3-dioxygenase inhibitor	20200619
CN-111718304-A	Synthetic method of triazole bactericide	20200530
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416

PMID	Publication Date	Title	Journal
22402101	20120501	Synthesis of N-homobicyclic dideoxynucleoside analogues	Carbohydrate research
19652839	20090828	Intermediate motions and dipolar couplings as studied by Lee-Goldburg cross-polarization NMR: Hartmann-Hahn matching profiles	Physical chemistry chemical physics : PCCP
18345904	20080314	Intermediate motions as studied by solid-state separated local field NMR experiments	The Journal of chemical physics
17580903	20070720	Beyond the corey reaction: one-step diolefination of cyclic ketones	The Journal of organic chemistry

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GHS Hazard Statement:	H303 (20%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	53
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.94188
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.94188
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0