3,3′-Diethylthiodicarbonyl cyanogen iodide
Structural formula
| Business number | 05B5 |
|---|---|
| Molecular formula | C23H23IN2S2 |
| Molecular weight | 518.47 |
| label |
3-ethyl-2-[5-(3-ethyl-3H-benzothiazole-2-ylidene)-pent-1,3-dienyl]-benzothiazole-3-onium iodide, 3-Ethyl-2-[5-(3-ethyl-3H-benzothiazol-2-ylidene)-penta-1,3-dienyl]-benzothiazol-3-ium iodide, functional dyes, functional pigments, functional dyes, Functional pigments, cyanine dyes, cyanine dyes |
Numbering system
CAS number:514-73-8
MDL number:MFCD00074829
EINECS number:208-186-7
RTECS number:DL7060000
BRN number:3838938
PubChem number:24859507
Physical property data
1. Character:Undetermined
2. Density (g/ cm3,25/4): Undetermined
3. Relative vapor density (g/cm3,AIR=1): Not OK
4. Melting point (ºC):249
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: not OK
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Undetermined
Toxicological data
1. Acute toxicity: mice intraperitoneally LD50: 3mg/kg, no details except lethal dose;
Mouse transvenousLD50: 1mg/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
None yet
Compute chemical data
1. Hydrophobic parameters Calculate the reference value (XlogP):
2. Hydrogen Bonding Number of donors: 0
3. Hydrogen Bonding Number of receptors: 2
4. Rotatable Number of chemical bonds: 5
5, Number of tautomers:
6. Topological molecules Polar surface area (TPSA): 7.1
7. Heavy Atom Quantity: 28
8. Surface charge ：0
9. Complexity ：537
10. Isotope atomic number:0
11. Determine the number of atomic stereocenters:7
12. Uncertain number of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds:3
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 2
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
poison room
Synthesis method
None yet
Purpose
antihelmintics