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