Home Sulfos 3-Methyl-1-(toluene-4-sulfonyl)-piperazine

3-Methyl-1-(toluene-4-sulfonyl)-piperazine

CAS No.:
178624-90-3
Catalog Number:
AG00266Q
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$219
- +
5g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00266Q
Chemical Name:
3-Methyl-1-(toluene-4-sulfonyl)-piperazine
CAS Number:
178624-90-3
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD06795933
IUPAC Name:
3-methyl-1-(4-methylphenyl)sulfonylpiperazine
InChI:
InChI=1S/C12H18N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-11(2)9-14/h3-6,11,13H,7-9H2,1-2H3
InChI Key:
KVFXTJXVCJULLQ-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
342  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties