Chlorothiazide Chlorothiazide
Structural formula
| Business number | 019Z |
|---|---|
| Molecular formula | C7H6ClN3O4S2 |
| Molecular weight | 295.72 |
| label |
6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide, 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
Numbering system
CAS number:58-94-6
MDL number:MFCD00058576
EINECS number:200-404-9
RTECS number:DK9450000
BRN number:None
PubChem number:24278150
Physical property data
1. Properties: White crystalline powder
2. Density (g/mL,25/4℃)：1.839
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):342 ～343℃(Decompose simultaneously)
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 3.07kPa):164
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
5. Molecular property data:
1. Molar refractive index: 61.83
2. Molar Volume (m3/mol）：144.4
3. isotonic specific volume (90.2K):452.8
4. Surface Tension (dyne/cm):96.5
5. Polarizability(10-24cm3): 24.51
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: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 532
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 yet
Storage method
This product should be sealed and stored away from light.
Synthesis method
Made from m-chloroaniline.
Purpose
Organic synthesis. Fungicides.
Can be used as a diuretic and antihypertensive drug, suitable for various types of edema and hypertension. The preparation is a tablet.
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: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 532
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 yet
Storage method
This product should be sealed and stored away from light.
Synthesis method
Made from m-chloroaniline.
Purpose
Organic synthesis. Fungicides.
Can be used as a diuretic and antihypertensive drug, suitable for various types of edema and hypertension. The preparation is a tablet.
