| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 32 | Yes |
Popular Name: Thymolphthalein Thymolphthalein
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 125-20-2 , 7512-38-1 , [125-20-2]
1(3H)-isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-
125-20-2; 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one; nsc2186
3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one
3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzofuran-1(3H)-one
Thymolphthalein (0.1% in ca. 95% Ethanol) [for pH Determination and Titration]
| 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) | 7.46 | 10.67 | -11.92 | 2 | 4 | 0 | 67 | 430.544 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 251 - 253 | Acros Organics |
| Melting_Point | 251-253? | Alfa-Aesar |
| Melting_Point | 251-253° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
