Nepicastat
5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazol-1-ium-2-thione
Also Known As: Nepicastat|(S)-4-(aminomethyl)-3-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione|5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazol-1-ium-2-thione
CAS: 173997-05-2
| Molecular Formula | C14H16F2N3S+ |
|---|---|
| Molecular Weight | 296.1033 g/mol |
| LogP | 0.3952 |
| Topological Polar Surface Area | 42.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1033 |
| Monoisotopic Mass | 296.1033 |
| Heavy Atoms | 20 |
| Complexity | 600.32697 |
Chemical Identifiers
| CAS Number | 173997-05-2 |
|---|---|
| SMILES | C1CC2=C(CC1[NH+]3C(=CNC3=S)CN)C=C(C=C2F)F |
Product Overview
Nepicastat (CAS 173997-05-2), with molecular formula C14H16F2N3S+ and molecular weight 296.1033 g/mol. IUPAC: 5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazol-1-ium-2-thione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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