thiodiglycolic acid thiodiglycolic acid

structural formula

• 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:123-93-3

mdl number:mfcd00004359

einecs number:204-663-9

rtecs number:aj6475000

brn number:1764392

pubchem id:none

physical property data

none

toxicological data

1, acute toxicity: rat subcutaneous ld: >500mg/kg

mouse transperitoneal cavity ld50: 300mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 31.70

2. molar volume (m ³/mol):97.7

3. isotonic specific volume (90.2k):285.5

4. surface tension (dyne/cm):72.7

5. polarizability（10^-24cm³):12.56

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.1

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 99.9

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 108

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond 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