Structural formula
| Business number | 038P |
|---|---|
| Molecular formula | C13H13N3O5S2 |
| Molecular weight | 355.38 |
| label |
antibiotic |
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.
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