Structural formula
| Business number | 03EK |
|---|---|
| Molecular formula | C12H14N4O4S |
| Molecular weight | 310.33 |
| label |
sulfadexoxine, sulfadimethoxine, sulfamethoxypyrimidine, Sulfadimethoxypyrimidine, sulfadimethoxine, Highly effective sulfa, Sulfamethoxypyridazine, iodinedimethoprim, 2,4-Dimethoxy-6-Sulfanilamido-1,3-Diazine, 2,6-Dimethoxy-4-(P-Aminobenzenesulfonamido)Pyrimidine, 2,6-Dimethoxy-4-Sulfanilamidopyrimidine, 4-Amino-N-(2,6-Dimethoxy-4-Pyrimidinyl)-Benzenesulfonamid, Abcid, Agribon, Albon, Arnosulfan, aromatic compounds |
Numbering system
CAS number:122-11-2
MDL number:MFCD00057345
EINECS number:204-523-7
RTECS number:WO9030000
BRN number:306856
PubChem number:24899727
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 75.87
2. Molar volume（m3/mol)：215.2
3. isotonic ratio（90.2K）：621.6
4. Surface Tension(dyne/cm)：69.5
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 30.07
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: 8
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 3
6. Topological molecule polar surface area 125
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 420
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
ii-font-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman’; mso-bidi-font-family: Arial; mso-font-kerning: 0pt”>（ 10-24cm 3)：
7. Polarizability: 30.07
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: 8
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 3
6. Topological molecule polar surface area 125
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 420
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
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