O,O,O-Triethylphosphorothioate O,O,O-Triethylphosphorothioate
Structural formula
| Business number | 03K6 |
|---|---|
| Molecular formula | C6H15O3PS |
| Molecular weight | 198.22 |
| label |
Triethylphosphorothioate, Triethyl thiophosphate, aliphatic compounds |
Numbering system
CAS number:126-68-1
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
Acute toxicity data:
Rat inhalationLC50: 41 ppm/4H
Rat intravenous LDLo: 250 mg/kg
Mouse oral LD50: 750mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 49.21
2. Molar volume (m3/mol）：178.6
3. isotonic specific volume (90.2K):443.4
4. Surface Tension (dyne/cm):37.9
5. Polarizability（10-24cm3):19.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 59.8
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 116
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