thiomorpholine thiomorpholine

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:123-90-0

mdl number:mfcd00005974

einecs number:204-660-2

rtecs number:none

brn number:102550

pubchem id:none

physical property data

1. density：1.026

2. refractive index:1.538

3. flashpoint (°f):140

4. boiling point (ºc): 169

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 29.95

2. molar volume (m³/mol）：101.9

3. isotonic specific volume (90.2k):248.5

4. surface tension (dyne/cm):35.2

5. polarizability（10^-24cm³):11.87

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 34.5

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

storage method

none

synthesis method

none

purpose

none

style=”font: 7pt ‘times new roman'”> surface tension (dyne/cm):35.2

5. polarizability（10^-24cm³):11.87

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 34.5

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

storage method

none

synthesis method

none

purpose

none