TL;DR: Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- (CAS 124941-12-4) is a chemical compound with molecular formula C7H6BrNO2S and molecular weight 246.93027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-5-(2-nitroprop-1-enyl)thiophene
Also Known As: Thiophene, 2-bromo-5-(2-nitro-1-propenyl)-, 2-(2-nitropropen-1-yl)-5-bromothiophene, 2-bromo-5-(2-nitroprop-1-enyl)thiophene, 2-BROMO-5-(2-NITROPROP-1-EN-1-YL)THIOPHENE
| Molecular Formula | C7H6BrNO2S |
| Molecular Weight | 246.93027 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.93027 Da |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
| SMILES | CC(=CC1=CC=C(S1)Br)[N+](=O)[O-] |
| InChIKey | UHUDRXOZKDYQCP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene, 2-bromo-5-(2-nitro-1-propenyl)-. Following Lipinski's Rule of Five, Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- 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 Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- is 124941-12-4.
The molecular formula of Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- is C7H6BrNO2S.
The molecular weight of Thiophene, 2-bromo-5-(2-nitro-1-propenyl)- is 246.93027 g/mol.
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