Product Description

[density]: 1.2 + 0.1 g/cm3

[boiling point]: 450.1 + 45 C at 760 mmHg

[melting point]: 192-196 C (decomposes)

[molecular formula]: C17H19ClN2S

[molecular weight]: 318.864

[flash point]: 226 + 28.7 degrees C

[exact quality]: 318.095734

[PSA]: 31.78000

[LogP]: 5.20

[appearance]: white to white crystalline powder.

[vapor pressure]: 0 + 1.1 mmHg at 25 degrees C

[refractive index]: 1.623

[storage conditions]:

This product is sealed and protected from light and dry.

[computational chemistry]:

1. hydrophobic parameter calculation reference value (XlogP): no

2. the number of hydrogen bond donors: 0

3. the number of hydrogen bond receptors: 3

4. the number of rotatable chemical bonds: 4

5. the number of isomers: none.

6. topological molecule polar surface area 31.8

The number of 7. heavy atoms: 21

8. surface charge: 0

9. complexity: 339

10. the number of isotopic atoms: 0

11. determine the number of atomic stereoscopic centers: 0

12. uncertainty in the number of atomic stereoscopic centers: 0

13. determine the number of chemical bond centers: 0

14. the number of uncertain chemical bond centers: 0

15. the number of covalent units: 1