sulfabenzamide sulfabenzamide

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:127-71-9

mdl number:mfcd00044890

einecs number:204-859-4

rtecs number:cv5802500

brn number:2139003

pubchem number:24899854

physical property data

1. melting point (℃):180-184

2. water-soluble (g/l,20 ºc): 0.3

toxicological data

1, acute toxicity: mice intravenously injected ld5o：320mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 72.29

2. molar volume (m³/mol）：201.7

3. isotonic specific volume (90.2k):558.5

4. surface tension (dyne/cm):58.7

5. polarizability（10^-24cm³):28.66

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: 4

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 97.6

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 402

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

none

purpose

none

pan> polarizability（10^-24cm³): 28.66

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: 4

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 97.6

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 402

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

none

purpose

none