TL;DR: 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione (CAS 147723-21-5) is a chemical compound with molecular formula C17H10Cl2O3S and molecular weight 363.97278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-(6-chloro-4H-1,3-benzodioxin-8-yl)chromene-4-thione
Also Known As: F0196-1076, 6-chloro-2-(6-chloro-4H-1,3-benzodioxin-8-yl)chromene-4-thione, 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione, 6-chloro-2-(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)-4H-chromene-4-thione, 6-chloro-2-(6-chloro-2H,4H-1,3-benzodioxin-8-yl)-4H-chromene-4-thione
| Molecular Formula | C17H10Cl2O3S |
| Molecular Weight | 363.97278 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.97278 Da |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
| SMILES | C1C2=C(C(=CC(=C2)Cl)C3=CC(=S)C4=C(O3)C=CC(=C4)Cl)OCO1 |
| InChIKey | UOOGDEBYBSFPCF-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione is 147723-21-5.
The molecular formula of 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione is C17H10Cl2O3S.
The molecular weight of 6-chloro-2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-4H-chromene-4-thione is 363.97278 g/mol.
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