4,5,6,7-Tetrahydrothieno[3,2,c] pyridine hydrochloride CAS28783-41-7

Details:

Density 0.836 g/mL at 25 °C(lit.) Density 1.143g/cm3
Boiling point 242.9ºC at 760 mmHg
Melting point 212-215°C
Molecular formula C7H10ClNS
Molecular weight 175.679
Flash point 100.7ºC
Precise mass 175.022247
PSA 40.27000
LogP 2.52460
Appearance character solid; White to Light yellow powder to crystal
Vapor pressure 0.0331mmHg at 25°C
Storage condition
Keep the storage device sealed and stored in a cool, dry place. Ensure that the workshop is well ventilated or vented

stability
Will not decompose if used and stored according to specifications. No known hazardous reactions

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

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 40.3

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :105

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 :2
Boiling point 85-88 °C20 mm Hg(lit.)
Melting point <-60ºC
Molecular formula C12H18
Molecular weight 162.27100
Flash point 156 °F
Accurate mass 162.14100
LogP 3.57690
Appearance properties Transparent colorless to slightly yellow liquid
Vapor pressure 0.508mmHg at 25°C
Refractive index n20/D 1.478(lit.)
Storage condition
Keep in a cool and dry environment

stability
It will not decompose when used and stored according to regulations.

Water soluble: methanol
Molecular structure
1, molar refractive index: 60.01

2. Molar volume (m3/mol) : 169.0

3. Isotropic volume (90.2K) : 404.5

4. Surface tension (dyne/cm) : 32.8

5. Polarization (10-24cm3) : 23.79

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :4.3

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :3

5. Number of tautomers: None

6. Topological molecular polar surface area is 0

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :179

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of uncertain atomic orthotropic centers :3

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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