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