Structural formula
| Business number | 03PY |
|---|---|
| Molecular formula | C8H8F3N3O4S2 |
| Molecular weight | 331.29 |
| label |
3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, Heterocyclic compounds |
Numbering system
CAS number:135-09-1
MDL number:MFCD00057316
EINECS number:205-173-8
RTECS number:DK9625000
BRN number:None
PubChem number:24895529
Physical property data
None
Toxicological data
Acute toxicity data :
Mouse Sutra MouthLD50：>10mg/kg
Mouse abdominal cavity LD50：6280mg/kg
Mouse vein LD50：750mg/kg
Mouse intestine Outside LD50: 1182mg/kg
Ecological data
None
Molecular structure data
Molecular property data:
1、 Molar refractive index：62.88
2、 Molar volume（m3/mol):197.3
3、 Isotonic specific volume（90.2K）：518.1
4、 Surface tension（3.0 dyne/cm SPAN>):47.5
5、 Polarizability（ 0.5 10-24cm3): 24.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 578
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
dow-orphan” align=left>5 , Polarization Rate(0.5 10-24cm3 ): 24.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 578
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
