AC1LCCYN
9-imino-12-thiophen-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: SR-01000534298-1|A2603/0110596|9-imino-12-(2-thienyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodecane-7,7,8-tricarbonitrile|10,11-Dioxatricyclo[6.2.2.0(1,6)]dodecane-7,7,8-tricarbonitrile, 9-imino-12-thiophen-2-yl-|2-IMINO-10-(2-THIENYL)TETRAHYDRO-8A,3-(EPOXYMETHANO)CHROMENE-3,4,4(2H,4AH)-TRICARBONITRILE|2-imino-10-(thiophen-2-yl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile|2-imino-10-(thiophen-2-yl)tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08374 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.08374 |
| Monoisotopic Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 484641-35-2 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(C(O2)C4=CC=CS4)(C(=N)O3)C#N)(C#N)C#N |
| InChIKey | BVAZBPHICLDVKX-UHFFFAOYSA-N |
Product Overview
AC1LCCYN (CAS 484641-35-2), with molecular formula C17H14N4O2S and molecular weight 338.08374 g/mol. IUPAC: 9-imino-12-thiophen-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.