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.