2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-sulfanylidenecyclobut-1-ene-1-thiolate
Chemical Structure Depiction of
2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-sulfanylidenecyclobut-1-ene-1-thiolate
2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-sulfanylidenecyclobut-1-ene-1-thiolate
Compound characteristics
| Compound ID: | 1495-0710 |
| Compound Name: | 2-[(2,6-di-tert-butyl-4H-pyran-4-ylidene)methyl]-4-[(2,6-di-tert-butylpyrylium-4-yl)methylidene]-3-sulfanylidenecyclobut-1-ene-1-thiolate |
| Molecular Weight: | 522.81 |
| Molecular Formula: | C32 H42 O2 S2 |
| Smiles: | CC(C)(C)C1=CC(=CC2=C(/C(=C/C3=CC(C(C)(C)C)=[O+]C(=C3)C(C)(C)C)C2=S)[S-])C=C(C(C)(C)C)O1 |
| Stereo: | ACHIRAL |
| logP: | 9.1881 |
| logD: | 9.1881 |
| logSw: | -5.9579 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 17.468 |
| InChI Key: | GRNOEXBLIFZYKY-UHFFFAOYSA-N |