Structural formula
| Business number | 03WM |
|---|---|
| Molecular formula | C9H10N4O2S2 |
| Molecular weight | 270.33 |
| label |
Sulfamethylthiodiazine, 1,5-anthracenediphenol, 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide |
Numbering system
CAS number:144-82-1
MDL number:MFCD00053363
EINECS number:205-641-1
RTECS number:WP0875000
BRN number:None
PubChem number:24899662
Physical property data
1. Physical property data:
1. Melting point (ºC): 210ºC
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 3500 mg/kg;
Rat subcutaneous LD50: >6560 mg/kg;
Rat intravenous LD50: 2710 mg/kg;
Mouse oral LD50: >10 gm/kg;
Mouse subcutaneous LD50: 1210 mg/kg;
Mouse intravenous LD50: 1820 mg/kg.
Ecological data
3. Ecological data:
Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data: 1. Molar refractive index:65.91 2. Molar volume (m3/mol):173.0 3. Isotonic specific volume (90.2K):527.5 4. Surface tension (dyne/cm):86.4 5. Polarizability(10-24cm3）：26.12
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: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 349
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
None
Purpose
None
��90.2K): 527.5
4. Surface tension (dyne/cm):86.4
5. Polarizability(10-24cm3）：26.12
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: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 135
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 349
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
None
Purpose
None
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