TL;DR: 3,5-Dibromo-2-methylthiophene (CAS 29421-73-6) is a chemical compound with molecular formula C5H4Br2S and molecular weight 253.84006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-2-methylthiophene
Also Known As: 3,5-Dibromo-2-methylthiophene, 2-Methyl-3,5-dibromo-thiophene, zlchem 1114, Dibromo-2-methylthiophene, THIOPHENE, 3,5-DIBROMO-2-METHYL-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H4Br2S |
| Molecular Weight | 253.84006 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.838 Da |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| SMILES | CC1=C(C=C(S1)Br)Br |
| InChIKey | OGAJGUIMFMRGRB-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3,5-Dibromo-2-methylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3,5-Dibromo-2-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-methylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-Dibromo-2-methylthiophene is 29421-73-6.
The molecular formula of 3,5-Dibromo-2-methylthiophene is C5H4Br2S.
The molecular weight of 3,5-Dibromo-2-methylthiophene is 253.84006 g/mol.
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