2-Aminoethanethiol 2-Aminoethanethiol

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:60-23-1

MDL number:MFCD00008196

EINECS number:200-463-0

RTECS number:KJ0175000

BRN number:635649

PubChem number:24897366

Physical property data

None yet

Toxicological data

1, acute toxicity: rat abdominal cavity LD50: 232mg/kg; rat subcutaneous LD50: 84mg/kg; mouse oral LD50: 625mg/kg; mouse abdominal cavity LD50: 250mg/kg;
Mouse subcutaneous LD50: 84mg/kg; Mouse intravenous LD50: 190mg/kg; mouse LD50: 350mg/ kg; rabbit vein LD50: 150mg/kg
2, reproductive toxicity: female rats Mouth TDLo: 42mg/kg, 70 days before mating, 21天后production
3, mutagenicity : Phage inhibition capacityTEST System: Bacteria – E. coli: 50mg/L ; Uncertain DNA synthesisTEST System: human fibroblasts: 1mmol/L;
CytogeneticsanalysisTEST system: rodent – Hamster ovary: 1mmol/L; sister chromatidsexchangeTESTSystem: Rodent – Hamster Ovary: 100umol/L

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 22.74

2. Molar volume (m³/mol）：79.2

3. isotonic specific volume (90.2K):192.6

4. Surface Tension (dyne/cm):34.8

5. Polarizability（10^-24cm³): 9.01

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 27

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 10

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 yet

Storage method

This product should be sealed and stored in a cool and dry place.

Synthesis method

Produced by the addition of ethanolamine and hydrogen bromideβ-Ethylamine bromide, then It is cyclized with carbon disulfide in the presence of sulfuric acid and finally hydrolyzed. The reaction of this method is easy to control, does not require high equipment, and is suitable for industrial use. In addition, it can also be obtained by adding cycloethylamine and hydrogen sulfide.

Purpose

Treatment and protection of radiation sickness. Complexing agent and masking agent for metal ions such as nickel and copper. Organic Synthesis.

-ALIGN: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>5, Polarizability（10^-24cm³): 9.01

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 27

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 10

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 yet

Storage method

This product should be sealed and stored in a cool and dry place.

Synthesis method

Produced by the addition of ethanolamine and hydrogen bromideβ-Ethylamine bromide, then It is cyclized with carbon disulfide in the presence of sulfuric acid and finally hydrolyzed. The reaction of this method is easy to control, does not require high equipment, and is suitable for industrial use. In addition, it can also be obtained by adding cycloethylamine and hydrogen sulfide.

Purpose

Treatment and protection of radiation sickness. Complexing agent and masking agent for metal ions such as nickel and copper. Organic Synthesis.