structural formula
| business number | 028x |
|---|---|
| molecular formula | c12h14n2s3 |
| molecular weight | 282.45 |
| label |
diethyldithiocarbamic acid 2-benzothiazolyl ester, n,n-diethylthiocarbamoyl-2-benzothiazolyl sulfide |
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
