| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | Yes |
Popular Name: 2-methyl-1,3-benzothiazole-6-carboxylic acid 2-methyl-1,3-benzothiazole-6-car…
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CAS Numbers: 6941-28-2 , [6941-28-2]
2-methyl-1,3-benzothiazole-6-carboxylicacid
2-Methylbenzothiazole-6-carboxylic acid
2-Methylbenzo[d]thiazole-6-carboxylic acid
6-benzothiazolecarboxylic acid, 2-methyl-
| 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) | 1.97 | 4.34 | -48.99 | 0 | 3 | -1 | 53 | 192.219 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 229 - 232 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
