Structural formula
| Business number | 028L |
|---|---|
| Molecular formula | C8H14ClNS2 |
| Molecular weight | 223.79 |
| label |
Grass kills, Caicao special, Thioallate,Vegedex, herbicide |
Numbering system
CAS number:95-06-7
MDL number:MFCD00048530
EINECS number:202-388-9
RTECS number:EZ5075000
BRN number:1772271
PubChem number:24869212
Physical property data
None
Toxicological data
1. Acute toxicity: rat oral LD50: 850mg/kg; rabbit skin contact LD50: 2200mg/kg;
2. Chronic toxicity/carcinogenicity
Large Rat oral TDLo: 6825mg/kg/78W-C; mouse oral TDLo: 59mg/kg/78W-C; rat oral TD: 11mg/kg/78W-I; mouse oral TD: 120mg/kg /78W-I;
1. Mutagenicity
Mutation of Salmonella typhimurium: 10μL/plate;
Mutation of Salmonella typhimurium: 10μg/plate ;
Microbial mutation: 1100μg/plate;
Aspergillus nidulans mutation: 20μL/plate;
DNA inhibition of human lymphocytes: 500mg/L;
DNA inhibition of rat cells: 1mg/L;
Ecological data
None
Molecular structure data
1. Molar refractive index: 62.53
2. Molar volume (cm3/mol): 193.0
3. Isotonic specific volume (90.2K ): 496.9
4. Surface tension (dyne/cm): 43.8
5. Polarizability (10-24cm3): 24.79
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 5
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 3.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 166
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 Number: 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
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