structural formula

business number	0194
molecular formula	c23h20n2o3s
molecular weight	404.48
label	1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione, 1,2-diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:57-96-5

mdl number:mfcd00057279

einecs number:200-357-4

rtecs number:uq8575000

brn number:none

pubchem number:24899841

physical property data

none

toxicological data

1, acute toxicity: human oral tdlo: 29mg/kg; rat oral ld50: 358mg/kg; rat intravenous ldlo: 154mg/kg; mouse oral ld50: .298mg/kg;
mouse abdominal cavity ld50: 100mg/kg; mouse vein ld50: 240mg/kg; rabbit intravenous ld50: 195mg/ kg
2, mutagenicity: sex chromosomes loss and nondisjunctiontest system: mold – aspergillus nidulans: 1mg/l

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 114.13

2. molar volume (m³/mol）：290.0

3. isotonic specific volume (90.2k):856.1

4. surface tension (dyne/cm):75.9

5. polarizability（10^-24cm³): 45.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 6

5. number of tautomers: 2

6. topological molecule polar surface area 76.9

7. number of heavy atoms: 29

8. surface charge: 0

9. complexity: 571

10. number of isotope atomsamount: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the chemical bond position number of stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

extended-reading:https://www.bdmaee.net/sponge-foaming-catalyst-smp/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/81.jpg
extended-reading:https://www.bdmaee.net/delayed-amine-a-400/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/33-9.jpg
extended-reading:https://www.newtopchem.com/archives/776
extended-reading:https://www.bdmaee.net/jeffcat-dpa-catalyst-cas63469-23-8-/
extended-reading:https://www.bdmaee.net/kosmos-29-catalyst-cas301-10-0-degussa-ag/
extended-reading:https://www.bdmaee.net/fentacat-10-catalyst-cas100-42-5-solvay/
extended-reading:https://www.bdmaee.net/cas-818-08-6-2/
extended-reading:https://www.newtopchem.com/archives/44682