TL;DR: 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro- (CAS 128457-00-1) is a chemical compound with molecular formula C5H4O2S3 and molecular weight 191.93735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine-2-thione
Also Known As: 4,5-ethylenedioxy-1,3-dithiol-2-thion, 4,5-Ethylenedioxy-1,3-dithiol-2-thione, 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro-, 4,5-(Ethylenedioxy)-1,3-dithiol-2-thione, 4,5-(Ethylenebisoxy)-1,3-dithiol-2-thione
| Molecular Formula | C5H4O2S3 |
| Molecular Weight | 191.93735 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.93735 Da |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
| SMILES | C1COC2=C(O1)SC(=S)S2 |
| InChIKey | BPUFOIWSJHRPCW-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro-. Following Lipinski's Rule of Five, 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro- is 128457-00-1.
The molecular formula of 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro- is C5H4O2S3.
The molecular weight of 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro- is 191.93735 g/mol.
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