TL;DR: Bis(ethylenedioxy)tetrathiafulvalene (CAS 120120-58-3) is a chemical compound with molecular formula C10H8O4S4 and molecular weight 319.93054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine
Also Known As: Bis(ethylenedioxy)tetrathiafulvalene, BEDO-TTF, 8-Chloro-2-hydroxyquinoline, Bisthylenedioxytetrathiafulvalene, 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine
| Molecular Formula | C10H8O4S4 |
| Molecular Weight | 319.93054 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 319.93054 Da |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
| SMILES | C1COC2=C(O1)SC(=C3SC4=C(S3)OCCO4)S2 |
| InChIKey | QFUHUWZDTBITGQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(ethylenedioxy)tetrathiafulvalene. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(ethylenedioxy)tetrathiafulvalene. Following Lipinski's Rule of Five, Bis(ethylenedioxy)tetrathiafulvalene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(ethylenedioxy)tetrathiafulvalene is 120120-58-3.
The molecular formula of Bis(ethylenedioxy)tetrathiafulvalene is C10H8O4S4.
The molecular weight of Bis(ethylenedioxy)tetrathiafulvalene is 319.93054 g/mol.
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