| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 12 | No |
Popular Name: 4-(Trifluoromethyl)benzyl mercaptan 4-(Trifluoromethyl)benzyl mercaptan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108499-24-7 , 40289-23-4
| 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) | 3.12 | 2.67 | -3.35 | 0 | 0 | 0 | 0 | 192.205 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 1.71 | -39.07 | 0 | 0 | -1 | 0 | 191.197 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
