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.
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