1,3-DIMETHYL-2-(2-THIENYL)IMIDAZOLIDINE cas104208-13-1

Details:

Density 1.108g/cm3
Boiling point 241ºC at 760 mmHg
Molecular formula C9H14N2S
Molecular weight 182.28600
Flash point 99.6ºC
Accurate mass 182.08800
PSA 34.72000
LogP 1.49970
Appearance character liquid; Light orange to Yellow to Green clear liquid
Vapor pressure 0.0368mmHg at 25°C
Refractive index of 1.56
Molecular structure
1. Molar refractive index: 53.21

2, molar volume (cm3/mol) : 164.4

3. Isographic volume (90.2K) : 409.9

4. Surface tension (dyne/cm) : 38.5

5. Dielectric constant: unavailable

6, polarization (10-24cm3) : 21.09

7. Single isotope mass: 182.087768 Da

8. Nominal quality: 182 Da

9. Average quality: 182.2859 Da

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.4

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area 34.7

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :153

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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