thiodiglycolic acid thiodiglycolic acid
structural formula
| business number | 03he |
|---|---|
| molecular formula | c4h6o4s |
| molecular weight | 150.15 |
| label |
aliphatic compounds |
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