TL;DR: 3,3'-Bis(methylthio)-2,2'-bithiophene (CAS 163015-17-6) is a chemical compound with molecular formula C10H10S4 and molecular weight 257.96652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfanyl-2-(3-methylsulfanylthiophen-2-yl)thiophene
Also Known As: 3,3'-bis(methylthio)-2,2'-bithiophene, 2,2'-bithiophene, 3,3'-bis(methylthio)-, 3,3'-bis(methylsulfanyl)-2,2'-bithiophene, 3,3 -Di(methylthio)-2,2 -bithiophene, 3,3 -Bis(methylthio)-2,2 -bithiophene
| Molecular Formula | C10H10S4 |
| Molecular Weight | 257.96652 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.96652 Da |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| SMILES | CSC1=C(SC=C1)C2=C(C=CS2)SC |
| InChIKey | FFDKJTMKDNAPBP-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 3,3'-Bis(methylthio)-2,2'-bithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Bis(methylthio)-2,2'-bithiophene. Following Lipinski's Rule of Five, 3,3'-Bis(methylthio)-2,2'-bithiophene 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 3,3'-Bis(methylthio)-2,2'-bithiophene is 163015-17-6.
The molecular formula of 3,3'-Bis(methylthio)-2,2'-bithiophene is C10H10S4.
The molecular weight of 3,3'-Bis(methylthio)-2,2'-bithiophene is 257.96652 g/mol.
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