TL;DR: 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene (CAS 152570-38-2) is a chemical compound with molecular formula C7H9BrS4 and molecular weight 299.87704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2,4,5-tris(methylsulfanyl)thiophene
Also Known As: 3-bromo-2,4,5-tris(methylsulfanyl)thiophene, 3-Bromo-2,4,5-tris(methylthio)thiophene, AI-942/42301859
| Molecular Formula | C7H9BrS4 |
| Molecular Weight | 299.87704 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.87704 Da |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| SMILES | CSC1=C(SC(=C1Br)SC)SC |
| InChIKey | AZSSRRDLWICHFK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene. Following Lipinski's Rule of Five, 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene 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-Bromo-2,4,5-tris(methylsulfanyl)thiophene is 152570-38-2.
The molecular formula of 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene is C7H9BrS4.
The molecular weight of 3-Bromo-2,4,5-tris(methylsulfanyl)thiophene is 299.87704 g/mol.
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