TL;DR: 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione (CAS 147951-24-4) is a chemical compound with molecular formula C12H10O2S2 and molecular weight 250.01222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(3-methylthiophen-2-yl)ethane-1,2-dione
Also Known As: 1,2-bis(3-methylthiophen-2-yl)ethane-1,2-dione, 3,3'-dimethyl-2-thenil, 1,2-bis(3-methyl-2-thienyl)ethane-1,2-dione, bis(3-methylthiophen-2-yl)ethane-1,2-dione, Ethanedione,bis(3-methyl-2-thienyl)- (9CI)
| Molecular Formula | C12H10O2S2 |
| Molecular Weight | 250.01222 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.01222 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | CC1=C(SC=C1)C(=O)C(=O)C2=C(C=CS2)C |
| InChIKey | GCAXOUZIAQDEHD-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione. Following Lipinski's Rule of Five, 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione 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 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione is 147951-24-4.
The molecular formula of 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione is C12H10O2S2.
The molecular weight of 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione is 250.01222 g/mol.
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