| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 21 | Yes |
Popular Name: 5-[2-(dimethylamino)vinyl]-3-[(4-methylbenzyl)sulfanyl]-4-isothiazolecarbonitrile 5-[2-(dimethylamino)vinyl]-3-[(4…
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CAS Number: 338778-59-9
| 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) | 3.98 | 2.79 | -45.92 | 1 | 3 | 1 | 41 | 316.475 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 124 - 126 | KeyOrganics |
