structural formula
| business number | 03pe |
|---|---|
| molecular formula | c7h5nao2s |
| molecular weight | 176.17 |
| label |
thiosalicylic acid sodium salt, 2-mercaptobenzoic acid sodium salt, aromatic compounds |
numbering system
cas number:134-23-6
mdl number:mfcd00070504
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):
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: 4
6. topological molecular polar surface area (tpsa):40.1
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 140
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
0pt” align=left>11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
