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Home Halogens 4-tert-Butyl-2,6-dimethylphenylsulfur Trifluoride

4-tert-Butyl-2,6-dimethylphenylsulfur Trifluoride

CAS No.:
947725-04-4
Catalog Number:
AG003458
Molecular Formula:
C12H17F3S
Molecular Weight:
250.3236
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Product Description
Catalog Number:
AG003458
Chemical Name:
4-tert-Butyl-2,6-dimethylphenylsulfur Trifluoride
CAS Number:
947725-04-4
Molecular Formula:
C12H17F3S
Molecular Weight:
250.3236
MDL Number:
MFCD11858620
IUPAC Name:
(4-tert-butyl-2,6-dimethylphenyl)-trifluoro-λ4-sulfane
InChI:
InChI=1S/C12H17F3S/c1-8-6-10(12(3,4)5)7-9(2)11(8)16(13,14)15/h6-7H,1-5H3
InChI Key:
VRTQPEYVMHATOA-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1S(F)(F)F)C)C(C)(C)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.323g/mol
Monoisotopic Mass:
250.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  
Literature
Title Journal
4-Fluoropyrrolidine-2-carbonyl fluorides: useful synthons and their facile preparation with 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride. The Journal of organic chemistry 20110506
Discovery of 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride as a deoxofluorinating agent with high thermal stability as well as unusual resistance to aqueous hydrolysis, and its diverse fluorination capabilities including deoxofluoro-arylsulfinylation with high stereoselectivity. Journal of the American Chemical Society 20101229
Properties