| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
Popular Name: 3-Amino-4-{[3-(trifluoromethyl)phenyl]thio}benzonitrile 3-Amino-4-{[3-(trifluoromethyl)p…
Find On: PubMed — Wikipedia — Google
CAS Number: 400751-63-5
3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile
3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl}
3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile
3-amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl}benzenecarbonitrile
3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl}benzonitrile
| 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) | 3.94 | 2.7 | -6.51 | 2 | 2 | 0 | 49 | 294.301 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.490000000000000e+002 - 1.510000000000000e+002 | KeyOrganics |
| melting_point | 149 - 151 | KeyOrganics |
| MP | 149-151° | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.