structural formula
| business number | 03l5 |
|---|---|
| molecular formula | c11h12n4o2s |
| molecular weight | 264.30 |
| label |
sulfamethylpyrimidine, 4-amino-n-(4-methyl-2-pyrimidinyl)benzenesulfonamide, n1-(4-methylpyrimidin-2-yl)sulfanilamide, heterocyclic compounds |
numbering system
cas number:127-79-7
mdl number:mfcd00023212
einecs number:204-866-2
rtecs number:wp0750000
brn number:249133
pubchem number:24899818
physical property data
none
toxicological data
, acute toxicity: rat subcutaneous ld5o: 1890mg/kg
rat intravenously injected ld5o: 1100mg/kg
mouse oral ld5o: 25gm/kg
mouse transperitoneal cavity ld5o: 1400mg/kg
mouse subcutaneous ld5o: 1190mg/kg
2, other multiple dose toxicity: monkey oral tdlo: 45020mg/kg/17d-i
3, reproductive toxicity: oral administration to rats (male, before mating)tdlo:17934mg/kg/6w
mice (female, after fertilization) orallytdlo: 6gm/kg/6-10d
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 67.76
2. molar volume (m3/mol）：183.5
3. isotonic specific volume (90.2k):542.6
4. surface tension (dyne/cm):76.4
5. polarizability（10-24cm3):26.86
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: 6
4. number of rotatable chemical bonds: 3
5. number of tautomers: 6
6. topological molecule polar surface area 106
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 360
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
n>molar volume (m3/mol):183.5
3. isotonic specific volume (90.2k):542.6
4. surface tension (dyne/cm):76.4
5. polarizability（10-24cm3):26.86
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: 6
4. number of rotatable chemical bonds: 3
5. number of tautomers: 6
6. topological molecule polar surface area 106
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 360
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
