methylchlorthiazide

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: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