Pentachlorothiophenol

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:133-49-3

MDL number:MFCD00059146

EINECS number:205-107-8

RTECS number:DC1925000

BRN number:None

PubChem number:24897398

Physical property data

None yet

Toxicological data

Skin/Eye irritation data

Rabbit Eye Contact :500mg/24HMild reaction

Acute toxicity data ：

Mouse abdominal cavity LD50：100mg/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1、 Molar refractive index：55.62

2, Molar volume（m³/mol):161.1

3, Isotonic specific volume（90.2K）：422.4

4, Surface tension（3.0 dyne/cm SPAN>): 47.2

5, Polarizability（ 0.5 10^-24cm³): 22.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 150

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

ning: 0pt; mso-fareast-font-family: Arial”>5, Polarizability（0.5 10 ^-24cm³):22.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 150

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet