| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 10 | Yes |
Popular Name: 3-Methylbenzo[b]thiophene 3-Methylbenzo[b]thiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1455-18-1 , 31772-42-6 , [1455-18-1]
"3-Methylbenzo[b]thiophene, 96%"
2-Chloro-1-(5-methylthien-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) | 3.28 | 0.81 | -4.23 | 0 | 0 | 0 | 0 | 148.23 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 40 | TCI |
| Melting_Point | 40? | Alfa-Aesar |
| Melting_Point | 40° | Alfa-Aesar |
| BP | 127 / 25 | TCI |
| Boiling_Point | 72-74?/2mm | Alfa-Aesar |
| BP | 72-74°/2mm | Matrix Scientific |
| Purity | 96% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 98.0%min | APIChem |
| Warnings | Irritant | Matrix Scientific |
