Home Other Building Blocks 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

CAS No.:
57-96-5
Catalog Number:
AG003DET
Molecular Formula:
C23H20N2O3S
Molecular Weight:
404.4815
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$57
- +
10g
97%
In Stock USA
United States
$94
- +
25g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003DET
Chemical Name:
4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
CAS Number:
57-96-5
Molecular Formula:
C23H20N2O3S
Molecular Weight:
404.4815
MDL Number:
MFCD00057279
IUPAC Name:
4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChI Key:
MBGGBVCUIVRRBF-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1
EC Number:
200-357-4
Properties
Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.119g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.484g/mol
Monoisotopic Mass:
404.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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Properties