| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4-(Methylsulfonyl)phenol 4-(Methylsulfonyl)phenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14763-60-1 , 14763-60-1 ; . , [14763-60-1]
| 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) | 0.33 | -0.82 | -11.47 | 1 | 3 | 0 | 54 | 172.205 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 76 - 78 | Enamine Building Blocks |
| MP | 76...78 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Mp [°C] | 90 - 95 | Acros Organics |
| Melting_Point | 90-95? | Alfa-Aesar |
| Melting_Point | 90-95° | Alfa-Aesar |
| MP | 91-93° | Matrix Scientific |
| purity | 95 | Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.