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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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