| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 12 | Yes |
Popular Name: 2-acetylbenzothiophene 2-acetylbenzothiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22720-75-8 , [22720-75-8]
1-(1-benzothiophen-2-yl)ethan-1-one
1-(Benzo[b]thiophen-2-yl)ethanone
1-Benzo[b]thiophen-2-yl-ethanone
| 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) | 3.04 | 6.52 | -6.64 | 0 | 1 | 0 | 17 | 176.24 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 86 - 90 | Enamine Building Blocks |
| Melting_Point | 86-88? | Alfa-Aesar |
| Melting_Point | 86-88° | Alfa-Aesar |
| MP | 86-90° | Oakwood Chemical |
| MP | 86...90 | Enamine Building Blocks |
| MP | 89 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
