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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