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Home Sulfos 1-(Toluene-4-sulfonyl)-piperazine

1-(Toluene-4-sulfonyl)-piperazine

CAS No.:
27106-51-0
Catalog Number:
AG00BC79
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00BC79
Chemical Name:
1-(Toluene-4-sulfonyl)-piperazine
CAS Number:
27106-51-0
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD02018961
IUPAC Name:
1-(4-methylphenyl)sulfonylpiperazine
InChI:
InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:
VHFDYFUMWJSVCA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20110801
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties