2-(8-Chloro-1-naphthylthio)acetic acid 2-(8-Chloro-1-naphthylthio)acetic acid

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:129-94-2

MDL number:MFCD00043901

EINECS number:204-971-3

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

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Toxicological data

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Ecological data

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Molecular structure data

5. Molecular property data:

1. Molar refractive index: 68.06

2. Molar Volume (m³/mol）：176.7

3. isotonic ratio (90.2K):500.3

4. Surface Tension (dyne/cm):64.2

5. Polarizability（10^-24cm³):26.98

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):3.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):37.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 272

10. Number of isotope atoms: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):37.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 272

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

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Storage method

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Synthesis method

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Purpose

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list 54.0pt” align=left>11. Determine the number of atomic stereocenters: 1

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

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Storage method

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Synthesis method

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Purpose

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