2-amino-5-methyl-1,3,4-thiadiazole 2-amino-5-methyl-1,3,4-thiadiazole
structural formula
| business number | 02wx |
|---|---|
| molecular formula | c3h5n3s |
| molecular weight | 115.16 |
| label |
5-methyl-1,3,4-thiadiazol-2-amine |
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.
