O,O,O-Triethylphosphorothioate O,O,O-Triethylphosphorothioate

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: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