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