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
