| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: S-(trifluoroacetyl)-4-mercaptotoluene S-(trifluoroacetyl)-4-mercaptoto…
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CAS Number: 75072-07-0
4-[(Trifluoroacetyl)thio]toluene
4-[(Trifluoroacetyl)thio]toluene 97%
S-(Trifluoroacetyl)-4-mercaptotoluene, S-(4-Methylphenyl) trifluoroethanethioate
| 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) | 3.62 | 3.17 | -3.98 | 0 | 1 | 0 | 17 | 220.215 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.