2-amino-5-methyl-1,3,4-thiadiazole 2-amino-5-methyl-1,3,4-thiadiazole

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:108-33-8

mdl number:mfcd00003110

einecs number:203-573-7

rtecs number:xi3500000

brn number:none

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air=1 ): undetermined

4. melting point (ºc): 224-225

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, kpa): not determined

7. refractive index (_d²⁰): not determined

8. flash point (ºc): undetermined

9. specific rotation (ºc): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 20ºc): undetermined

12. saturated vapor pressure (kpa, 20ºc): undetermined

13. heat of combustion (kj/mol ): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (polymer) log value of the partition coefficient (alcohol/water): undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v ): undetermined

19. solubility: undetermined

toxicological data

1. acute toxicity: mouse oral ld50: >1mg/kg; mouse abdominal ld50: 400mg/kg; quail oral ld50: >316mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 29.88

2. molar volume (cm³/mol): 83.9

3. isotonic specific volume (90.2k ): 242.2

4. surface tension (dyne/cm): 69.4

5. polarizability (10-24cm3): 11.84

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 80

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 67.2

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

used in the synthesis of dyes and azole drugs.