| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | Yes |
Popular Name: Thioanisole Thioanisole
| 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) | 2.37 | 5.51 | -3.1 | 0 | 0 | 0 | 0 | 124.208 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| Melting_Point | 80? | Alfa-Aesar |
| Melting_Point | 80° | Alfa-Aesar |
| BP [°C] | 188 | Acros Organics |
| Boiling_Point | 188-189? | Alfa-Aesar |
| Boiling_Point | 188-189° | Alfa-Aesar |
| BP | 188° | Fluorochem |
| Boiling_Point | 89-90?/35mm | Alfa-Aesar |
| Boiling_Point | 89-90°/35mm | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| PUBCHEM_PATENT_ID | US6034106 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.