| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: 4,4'-sulfonyldiphenol 4,4'-sulfonyldiphenol
1,1'-Sulfonylbis(4-hydroxybenzene); 4,4'-Sulfonyldiphenol; 80-09-1; Bisphenol S; C14216
4,4'-Dihydroxydiphenyl sulfone
4-[(4-hydroxybenzene)sulfonyl]phenol
| 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) | 1.82 | -0.47 | -11.29 | 2 | 4 | 0 | 75 | 250.275 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 244 - 246 | Enamine Building Blocks |
| MP | 244...246 | Enamine Building Blocks |
| MP | 245 - 247 | Enamine Building Blocks |
| Melting_Point | 245-250? | Alfa-Aesar |
| Melting_Point | 245-250° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| Mp [°C] | >245 | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| 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: Irritating to eyes. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.