| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 3-amino-4-(phenylsulfanyl)benzenecarbonitrile 3-amino-4-(phenylsulfanyl)benzen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 337923-85-0 , [337923-85-0]
| 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) | 3.07 | 0.51 | -5.21 | 2 | 2 | 0 | 49 | 226.304 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 103 - 106 | KeyOrganics |
| MP | 103-106° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.