diethyldithiocarbamate-2-benzothiazole 2-benzothiazolyl diethyldithiocarbamate

structural formula

• 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:95-30-7

mdl number:mfcd00059887

einecs number:202-408-6

rtecs number:ez4950000

brn number:none

pubchem id:none

physical property data

none

toxicological data

1. acute toxicity: rat oral ld50: 6mg/kg; rabbit oral ld50: 2700mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 82.40

2. molar volume (cm³/mol): 214.8

3. isotonic specific volume (90.2k ): 614.6

4. surface tension (dyne/cm): 66.9

5. polarizability (10-24cm3): 32.66

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 102

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 269

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