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

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Storage method

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Synthesis method

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Purpose

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