| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2008 | 11 | No |
Popular Name: 5-Chloro-2-mercaptobenzothiazole 5-Chloro-2-mercaptobenzothiazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1849-65-6 , 5331-91-9 , [5331-91-9]
"5-Chloro-2-mercaptobenzothiazole, 98%"
2(3H)-Benzothiazolethione, 5-chloro- (9CI)
2-metcapto-5-chloro-benzothiazole
4-Chloro-2-mercaptobenzothiazole
5-chloro-1,3-benzothiazole-2-thiol
5-Chloro-2-mercaptobenzothiazole, 98%
5-Chlorobenzo[d]thiazole-2(3H)-thione
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.54 | 5.11 | -38.25 | 0 | 1 | -1 | 13 | 200.695 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 198 - 200 | Enamine Building Blocks |
| Melting_Point | 198-200? | Alfa-Aesar |
| Melting_Point | 198-200° | Alfa-Aesar |
| MP | 198...200 | Enamine Building Blocks |
| MP | 200 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
No pre-computed analogs available. Try a structural similarity search.