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