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
