Methylchlorthiazide
Structural formula
| Business number | 03PX |
|---|---|
| Molecular formula | C9H11Cl2N3O4S2 |
| Molecular weight | 360.24 |
| label |
6-Chloro-3-chloromethyl-3,4-dihydro-2-methyl-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, chloromethazide, Heterocyclic compounds |
Numbering system
CAS number:135-07-9
MDL number:MFCD00242610
EINECS number:205-172-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
Acute toxicity data :
Rat Sutra Mouth LD50: >4mg/kg
Rat abdominal cavity LD50：2mg/kg
Mouse Sutra MouthLD50：>10mg/kg
Mouse abdominal cavity LD50：870mg/kg
Mouse vein LD50：400mg/kg
Mutation data ：
Hamster fiber Cells: 250mg/L
Hamster Lung: 140mg/L
Ecological data
None
Molecular structure data
Molecular property data:
1、 Molar refractive index：77.02
2、 Molar volume（m3/mol): 223.2
3、 Isotonic specific volume（90.2K）：608.4
4、 Surface tension（3.0 dyne/cm SPAN>):55.1
5、 Polarizability（ 0.5 10-24cm3): 30.53
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: 7
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 126
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 571
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
None
Purpose
None
t”>Surface tension( 3.0 dyne/cm):55.1
5、 Polarizability（ 0.5 10-24cm3): 30.53
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: 7
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 126
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 571
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
None
Purpose
None
