Trimethylsulfonium Chloride - CAS 3086-29-1

Catalog:	BB057072
Product Name:	Trimethylsulfonium Chloride
CAS:	3086-29-1
Synonyms:	Trimethylsulfonium chloride; Sulfonium, trimethyl-, chloride; trimethylsulfanium; chloride; Sulfonium, trimethyl-, chloride (1:1); Trimethylsulfoniumchloride

Technical Data

IUPAC Name:	trimethylsulfaniumchloride
Description:	Trimethylsulfonium Chloride is used as a reagent in the preparation of spirastrellolide A Me ester via Suzuki coupling, Yamaguchi lactonization, Julia-Kocienski olefination, bond cleavage, and ozonolysis, its antitumor activity, and SAR with truncated variants.
Molecular Weight:	77.17 + (35.45)
Molecular Formula:	C3H9S·Cl
Canonical SMILES:	C[S+](C)C.[Cl-]
InChI:	InChI=1S/C3H9S.ClH/c1-4(2)3/h1-3H31H/q+1/p-1
InChI Key:	OWUGVJBQKGQQKJ-UHFFFAOYSA-M
Melting Point:	162-167°C
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Arlt, A., et al. Chem. Eur. J., 19, 3596 (2013).

Complexity:	8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.0113492
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.0113492
Rotatable Bond Count:	0
Topological Polar Surface Area:	1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0