(8-nitro-4-oxo-2H,4H-[1,3]dithiolo[4,5-c][1]benzopyran-2-ylidene)propanedinitrile
Chemical Structure Depiction of
(8-nitro-4-oxo-2H,4H-[1,3]dithiolo[4,5-c][1]benzopyran-2-ylidene)propanedinitrile
(8-nitro-4-oxo-2H,4H-[1,3]dithiolo[4,5-c][1]benzopyran-2-ylidene)propanedinitrile
Compound characteristics
| Compound ID: | 8008-1013 |
| Compound Name: | (8-nitro-4-oxo-2H,4H-[1,3]dithiolo[4,5-c][1]benzopyran-2-ylidene)propanedinitrile |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C13 H3 N3 O4 S2 |
| Smiles: | C(C(C#N)=C1SC2=C(c3cc(ccc3OC2=O)[N+]([O-])=O)S1)#N |
| Stereo: | ACHIRAL |
| logP: | 2.6893 |
| logD: | 2.6893 |
| logSw: | -3.4018 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.941 |
| InChI Key: | PXKAGONWXQITGU-UHFFFAOYSA-N |