bis(mercaptoacetate)ethylene glycol ethylene glycol bis(mercaptoacetate)

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:123-81-9

mdl number:mfcd00004875

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

1. acute toxicity: rat oral ld50: 330mg/kg

mouse oral ldl0: 50mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 49.18

2. molar volume (cm³/mol): 162.6

3. isotonic specific volume (90.2k): 424.0

4. surface tension (dyne/cm): 46.2

5. polarizability (10-24cm3): 19.49

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 0.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 7

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 52.6

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 142

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 number: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet