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CAS NO.43210-67-9
100%(1-50)Kilogram100%(50-100)Kilogram
Density: 1.4±0.1 g/cm3
Boiling point: 541.4±42.0 °C at 760 mmHg
Melting point: 233°C
Molecular formula: C15H13N3O2S
Molecular weight: 299.348
Flash point: 281.2±27.9 °C
Accurate quality: 299.072845
PSA: 92.31000
LogP: 4.34
Appearance: white to light yellow powder
Vapor pressure: 0.0±1.5 mmHg at 25°C
Refractive index: 1.689
Storage conditions: sealed, cool and dry storage
Stability: Will not decompose under normal conditions, no dangerous reaction
Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 5
6. Topological molecular polar surface area 92.3
7. Number of heavy atoms: 21
8.Surface charge: 0
9. Complexity: 363
10. Number of isotope atoms: 0
11.Determine the number of atomic stereo centers: 0
12. Uncertain the number of atomic stereo centers: 0
13. Determine the number of chemical bond stereo centers: 0
14. Uncertain the number of chemical bond stereo centers: 0
15.Number of covalent bond units: 1