Mol Weight - 167.256
Smiles - Sc1nc(cccc2)c2s1.[Na]
| Property Name | Property Value |
| Mol Name | 2-Mercaptobenzothiazole Sodium Salt |
| Molweight | 167.256 |
| Monoisotopic Mass | 166.986339 |
| Clogp | 2.1025 |
| Clogs | -3.558 |
| H Acceptors | 1 |
| Total Surface Area | 118.42 |
| Relative Psa | 0.4555 |
| Polar Surface Area | 79.93 |
| Druglikeness | -2.7626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.74753 |
| Fragments | 2 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | Sc1nc(cccc2)c2s1.[Na] |
| InChIKey | InChI=1S/C7H5NS2.Na.H/c9-7-8-5-3-1-2-4-6(5)10-7;;/h1-4H,(H,8,9);; |
| InChI | SUXGQYZEKNNCSG-UHFFFAOYSA-N |
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1 — 2-Mercaptobenzothiazole Sodium Salt | 2 — 2-Mercaptobenzothiazole Sodium Salt