structural formula
business number | 03kg |
---|---|
molecular formula | c4h11no3s |
molecular weight | 153.20 |
label |
linear compound |
numbering system
cas number:126-97-6
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 84.6
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 52.9
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: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none