sulfathiazole sulfathiazole

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:72-14-0

mdl number:mfcd00005319

einecs number:200-771-5

rtecs number:wp2360000

brn number:226178

pubchem number:24899859

physical property data

1. properties: triangular rod-shaped crystal. 2. density (g/ml, 25/4℃): uncertain

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

4. melting point (ºc): 200-204 (lit.)

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

6. boiling point (ºc, 5.2 kpa): uncertain

7. refractive index: uncertain

8. flash point (ºc): uncertain

9. specific rotation (º): uncertain

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

11. vapor pressure (kpa, 25 ºc): uncertain

12. saturated vapor pressure (kpa, 60 ºc): uncertain

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

14. critical temperature (ºc): uncertain

15 . critical pressure (kpa): uncertain

16. log value of oil-water (octanol/water) partition coefficient: uncertain

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

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

19. solubility: hardly soluble in water (<0.1 g/100 ml at 21 ºc), soluble in acetone, dilute hydrochloric acid, ammonia and alkali solution

toxicological data

acute toxicity: rat intraperitoneal ldlo: 1250 mg/kg; rat intravenous ld50: 1370 mg/kg; rat parental ldlo: 1 mg/kg; mouse oral ld50: 4500 mg/kg; mouse intraperitoneal ld50: 400 mg/kg; mouse subcutaneous injection ld50: 1450 mg/kg; mouse intravenous ld50: 900 mg/kg; tumorigenicity: rat parental tdlo: 500 mg/kg; mouse oral tdlo: 2310 mg/kg/2w -c; mouse parental tdlo: 500 mg/kg; breeding: rat oral tdlo: 29400 mg/kg /l; microbial phage inhibition capacitytest system: 5 mg/l;

ecological data

none

molecular structure data

1. molar refractive index: 63.48

2�� molar volume (cm³/mol): 163.5

3. isotonic specific volume (90.2k): 493.7

4. surface tension (dyne/cm ): 83.0

5. polarizability (10-24cm3): 25.16

compute chemical data

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

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 122

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 320

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

this product should be sealed, cool, dry and protected from light.

synthesis method

it can be obtained by condensation of 2-aminothiazole and p-nitrobenzene sulfonyl chloride and then reduction.

purpose

mainly used to treat infectious diseases such as hemolytic streptococci, meningococci, and pneumococci. biochemical research