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4-Methyl-benzenesulfinamide

CAS No.:
6873-55-8
Catalog Number:
AG00343U
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
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Product Description
Catalog Number:
AG00343U
Chemical Name:
4-Methyl-benzenesulfinamide
CAS Number:
6873-55-8
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD02093698
IUPAC Name:
4-methylbenzenesulfinamide
InChI:
InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3
InChI Key:
YNJDSRPIGAUCEE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)N
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Palladium-catalyzed C-N cross coupling of sulfinamides and aryl halides. The Journal of organic chemistry 20120504
Subtilisin-catalyzed resolution of N-acyl arylsulfinamides. Journal of the American Chemical Society 20050223
Synthesis of enantiopure sulfinimines (thiooxime S-oxides) catalyzed by Yb(OTf)(3) from p-toluenesulfinamide and aldehydes in mild reaction conditions. The Journal of organic chemistry 20050204
Properties