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:116-43-8

mdl number:mfcd00022437

einecs number:204-141-0

rtecs number:wm4767000

brn number:349989

pubchem number:24899811

physical property data

1. characteristics: white or slightly yellow crystalline powder, , odorless and slightly bitter.

2. density (g/ml,25℃） : undetermined

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

4. melting point (ºc): 182～184

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

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific rotation (º): undetermined

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

11. vapor pressure (mmhg, ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient for water: undetermined

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

molar volume (m³/mol):221.9

3、 isotonic specific volume (90.2k) ：679.9

4、 surface tension (dyne/cm):88.0

5、 polarizability (10^-24cm³):33.22

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: 7

5. number of tautomers: 6

6. topological molecule polar surface area 162

7. number of heavy atoms: 23

8. surface charge: 0

9. complexity: 526

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

it is prepared from p-succinylamidobenzenesulfonyl chloride and ethylaminothiazole.

purpose

it is an oral sulfonamide drug, suitable for enteritis, bacillary dysentery and preparation before intestinal surgery.

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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: 7

5. number of tautomers: 6

6. topological molecule polar surface area 162

7. number of heavy atoms: 23

8. surface charge: 0

9. complexity: 526

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

it is prepared from p-succinylamidobenzenesulfonyl chloride and ethylaminothiazole.

purpose

it is an oral sulfonamide drug, suitable for enteritis, bacillary dysentery and preparation before intestinal surgery.