2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: Oprea1_009352|Oprea1_829591|ODUCLVRKXPWZOR-UHFFFAOYSA-|2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile|BAS 06899628|J1.232.206B|AB00078527-01|AG-205/33137019|SR-01000507114-1|A0028/0001305|2,6-diamino-4-(2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile|2,6-Diamino-4-benzo[1,3]dioxol-5-yl-4H-thiopyran-3,5-dicarbonitrile|4-(1,3-Benzodioxole-5-yl)-2,6-diamino-4H-thiopyran-3,5-dicarbonitrile|2,6-diamino-4-(benzo[d][1,3]dioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile|4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2,6-diamino-4H-thiin-3,5-dicarbonitrile
| Molecular Formula | C14H10N4O2S |
|---|---|
| Molecular Weight | 298.05246 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.05246 |
| Monoisotopic Mass | 298.05246 |
| Heavy Atoms | 21 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 259654-01-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C(=C(SC(=C3C#N)N)N)C#N |
| InChIKey | ODUCLVRKXPWZOR-UHFFFAOYSA-N |
Product Overview
2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile (CAS 259654-01-8), with molecular formula C14H10N4O2S and molecular weight 298.05246 g/mol. IUPAC: 2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile.