Thiomorpholine Thiomorpholine
Structural formula
| Business number | 03HB |
|---|---|
| Molecular formula | C4H9NS |
| Molecular weight | 103.19 |
| label |
Mercaptomorpholine, Tetrahydro-2H-1,4-thiazine, Thiamorpholine, Heterocyclic compounds |
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
