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Home Sulfos 1-Benzyl-4-methanesulfonyl-piperazine

1-Benzyl-4-methanesulfonyl-piperazine

CAS No.:
118546-61-5
Catalog Number:
AG00767O
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$41
- +
1g
95%
In Stock USA
United States
$82
- +
5g
95%
In Stock USA
United States
$246
- +
Product Description
Catalog Number:
AG00767O
Chemical Name:
1-Benzyl-4-methanesulfonyl-piperazine
CAS Number:
118546-61-5
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD01080028
IUPAC Name:
1-benzyl-4-methylsulfonylpiperazine
InChI:
InChI=1S/C12H18N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
CKKQEWFEZNDPLJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties