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
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