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
