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S,S'-Trimethylene di(p-toluenethiosulfonate)

S,S'-Trimethylene di(p-toluenethiosulfonate) - CAS 3866-79-3

Catalog:	BB023725
Product Name:	S,S'-Trimethylene di(p-toluenethiosulfonate)
CAS:	3866-79-3
Synonyms:	0

Technical Data

Patents

Computed Properties

IUPAC Name:	1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene
Description:	S,S'-Trimethylene di(p-toluenethiosulfonate) (CAS# 3866-79-3) is used as a reactant in the enantioselective total synthesis of (-)-O-methylpallidinine, which is a naturally occurring morphinan alkaloid.
Molecular Weight:	416.60
Molecular Formula:	0
Canonical SMILES:	0
InChI:	0
InChI Key:	0
Boiling Point:	592.3 ℃ at 760 mmHg
Purity:	> 95.0 % (LC)
Density:	1.34 g/cm³
MDL:	MFCD00014918
LogP:	6.39910

Publication Number	Title	Priority Date
EP-3642248-A1	Biaryl phenoxy group iv transition metal catalysts for olefin polymerization	20170620
US-2020190228-A1	Biaryl phenoxy group iv transition metal catalysts for olefin polymerization	20170620
WO-2018236738-A1	GROUP IV TRANSITION PHENOXYBIARYL-METAL CATALYSTS FOR OLEFIN POLYMERIZATION	20170620
US-2007270411-A1	Novel Diazepine Compounds as Ligands of the Melanocortin 1 and/or 4 Receptors	20040528
US-7442693-B2	Diazepine compounds as ligands of the melanocortin 1 and/or 4 receptors	20040528

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Related Functional Groups

Sulfur Compounds

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1,4-Butanedithiol diacetate
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
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Ammonium diethyldithiocarbamate
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt

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Complexity:	534
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	416.02444381
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	416.02444381
Rotatable Bond Count:	8
Topological Polar Surface Area:	136
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1