3-(TRIMETHYLSILYLETHYNYL)THIOPHENE 97 CAS130995-13-0

Details:

Density 1.0± 0.1g /cm3
Boiling point 203.6±22.0 °C at 760 mmHg
Melting point 36-41ºC(lit.)
Molecular formula C9H12SSi
Molecular weight 180.342
Flash point 77.0±22.3 °C
Accurate mass 180.042892
PSA 28.24000
LogP is 3.93
Appearance character solid; White to Orange to Green powder to lump
Vapor pressure 0.4±0.4 mmHg at 25°C
Refractive index 1.517
Storage conditions stored in inert gases; Avoid air, moisture (decomposition)
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 54.80

2, molar volume (cm3/mol) : 181.1

3, equal volume (90.2K) : 426.1

4. Surface tension (dyne/cm) : 30.5

5. Polarization (10-24cm3) : 21.72

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 28.2

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :191

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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