Phthalylsulfathiazole Phthalylsulfathiazole
Structural formula
| Business number | 01W7 |
|---|---|
| Molecular formula | C17H13N3O5S2 |
| Molecular weight | 403.43 |
| label |
Phthalosulfathiazole, carboxybenzoyl sulfathiazole, 2-[[[4-[(2-thiazolalamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid, 2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid |
Numbering system
CAS number:85-73-4
MDL number:MFCD00005318
EINECS number:201-627-4
RTECS number:TH8575000
BRN number:359901
PubChem number:24870549
Physical property data
1. Properties: white or off-white crystalline powder
2. Density (g/mL ,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):198-204℃
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2 kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º ): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa ,60ºC
1. Molar refractive index: 99.25
2. Molar volume (m3/mol）：252.6
3. isotonic specific volume (90.2K):771.8
4. Surface Tension (dyne/cm):87.0
5. Polarizability（10-24cm3):39.34
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: 4
6. Topological molecule polar surface area 162
7. Number of heavy atoms: 27
8. Surface charge: 0
9. Complexity: 643
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
White or off-white crystalline powder. Melting point198-204℃. Slightly soluble in ethanol, almost insoluble in water or chloroform, easily soluble in hydrochloric acid or sodium hydroxide solution, and easily soluble in ammonia water.
Storage method
Sealed at4℃Save in a dry place and away from light.
Synthesis method
Sulfathiazole ( ST) and phthalic anhydride are acylated to obtain crudePST, the finished product is obtained after refining. STand phthalic anhydride and mix thoroughly,140℃reaction1.5h. Add the crude product to water and adjust the pH with liquid caustic soda : 9pt; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>To8, completely dissolved in 40℃Add activated carbon to decolorize for half an hour, filter, and use hydrochloric acid for the filtrate Neutralize topH=5-6, filter, wash the filter cake, dry and pulverize to obtain the finished productPST.
Purpose
Sulfa drugs, used for bacillary dysentery and bacterial ulcerative enteritis.
Reference value for parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: 4
6. Topological molecule polar surface area 162
7. Heavy Number of atoms: 27
8. Surface charge: 0
9. Complexity: 643
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
White or off-white crystalline powder. Melting point198-204℃. Slightly soluble in ethanol, almost insoluble in water or chloroform, easily soluble in hydrochloric acid or sodium hydroxide solution, and easily soluble in ammonia water.
Storage method
Sealed at4℃Save in a dry place and away from light.
Synthesis method
Sulfathiazole ( ST) and phthalic anhydride are acylated to obtain crudePST, the finished product is obtained after refining. STand phthalic anhydride and mix thoroughly,140℃reaction1.5h. Add the crude product to water and adjust the pH with liquid caustic soda : 9pt; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>To8, completely dissolved in 40℃Add activated carbon to decolorize for half an hour, filter, and use hydrochloric acid for the filtrate Neutralize topH=5-6, filter, wash the filter cake, dry and pulverize to obtain the finished productPST.
Purpose
Sulfa drugs, used for bacillary dysentery and bacterial ulcerative enteritis.
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Purpose
Sulfa drugs, used for bacillary dysentery and bacterial ulcerative enteritis.
