TL;DR: 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide (CAS 15441-55-1) is a chemical compound with molecular formula C8H10OS2 and molecular weight 186.0173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-4,6-dihydrothieno[3,4-c]thiophene 5-oxide
Also Known As: 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide, AI-942/13331140, AE-508/09521056, 1,3-dimethyl-4,6-dihydrothieno[3,4-c]thiophene 5-oxide, 4,6-Dimethyl-1,3-dihydrothieno[3,4-c]thiophene 2-oxide
| Molecular Formula | C8H10OS2 |
| Molecular Weight | 186.0173 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0173 Da |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
| SMILES | CC1=C2CS(=O)CC2=C(S1)C |
| InChIKey | ATTIDGJEEJUUOF-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide. Following Lipinski's Rule of Five, 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide is 15441-55-1.
The molecular formula of 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide is C8H10OS2.
The molecular weight of 4,6-dimethyl-1H,3H-thieno[3,4-c]thiophene 2-oxide is 186.0173 g/mol.
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