| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 2-Methylbenzothiazole 2-Methylbenzothiazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120-75-2 , 212711-24-5 , 52260-25-0 , 55299-16-6 , 874-45-3 , N/A , [120-75-2]
2-Methybenzothiazole;2-Methyl-1,3-benzothiazole;2-Methyl-Benzothiazole;Spirotrypan
Benzothiazole, 2-methyl-, hydriodide (9CI)
Benzothiazole, 2-methyl-, hydrobromide (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) | 2.08 | -0.5 | -7.1 | 0 | 1 | 0 | 12 | 149.218 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 11-14° | Oakwood Chemical |
| Melting_Point | 12-14? | Alfa-Aesar |
| Melting_Point | 12-14° | Alfa-Aesar |
| Boiling_Point | 237-238? | Alfa-Aesar |
| Boiling_Point | 237-238° | Alfa-Aesar |
| BP | 237-239° | Oakwood Chemical |
| BP | 238 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 99% | APIChem |
| PUBCHEM_PATENT_ID | EP0047471A1; EP0047472A1; EP0048834A1; US4332878; US4385108; US4404289; US4405711; US4414325 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
