| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: 2-Methyl-5-(trifluoromethyl)benzothiazole 2-Methyl-5-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 398-99-2 , [398-99-2]
2-methyl-5-(trifluoromethyl)-1,3-benzothiazole
Benzothiazole, 2-methyl-5-(trifluoromethyl)- (7CI,8CI,9CI)
| 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) | 2.96 | 1.66 | -6.1 | 0 | 1 | 0 | 13 | 217.215 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 116°/15mm | Matrix Scientific |
| MP | 63 - 65 | Enamine Building Blocks |
| MP | 63...65 | Enamine Building Blocks |
| MP | 63° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0458549A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
