| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: benzo[b]thiophene benzo[b]thiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 11095-43-5 , 4565-32-6 , 95-15-8 , [95-15-8]
| 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) | 2.90 | 5.84 | -4.09 | 0 | 0 | 0 | 0 | 134.203 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 221 | TCI |
| BP [°C] | 221 - 222 | Acros Organics |
| Boiling_Point | 221-222? | Alfa-Aesar |
| Boiling_Point | 221-222° | Alfa-Aesar |
| Mp [°C] | 28 - 32 | Acros Organics |
| Melting_Point | 28-32? | Alfa-Aesar |
| Melting_Point | 28-32° | Alfa-Aesar |
| MP | 31 - 33 | Enamine Building Blocks |
| MP | 31...33 | Enamine Building Blocks |
| MP | 32 - 33 | Enamine Building Blocks |
| MP | 33 - 33 | Enamine Building Blocks |
| MP | 33 - 35 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Patent Database Links | EP0805190; EP0918056; EP0921124; EP0950405; EP0984012; EP0985662; EP1072576; EP1193254; EP1298130; EP1314733; EP1362854; EP1408090; EP1437346; EP1479676; EP1512704; EP1555264; EP1598067; EP1632483; EP1724272; EP1777214; EP1947096; EP1992621; GB2224028; US | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | 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 |
