TL;DR: 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide (CAS 14742-56-4) is a chemical compound with molecular formula C9H14Br3NS and molecular weight 404.83972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-(2-bromoethyl)-N-(thiophen-2-ylmethyl)ethanamine;hydrobromide
Also Known As: DBTA, Di-(2-bromoethyl)-thenylamine hydrobromide, 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide, N,N-Bis(2-bromoethyl)-2-thenylamine hydrobromide, 2-bromo-N-(2-bromoethyl)-N-(thiophen-2-ylmethyl)ethanamine hydrobromide
| Molecular Formula | C9H14Br3NS |
| Molecular Weight | 404.83972 g/mol |
| XLogP | 3.9178 |
| Topological Polar Surface Area (TPSA) | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.83972 Da |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
| SMILES | C1=CSC(=C1)CN(CCBr)CCBr.Br |
| InChIKey | MVODTGURFNTEKX-UHFFFAOYSA-N |
The XLogP value of 3.9178 indicates that 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide is 14742-56-4.
The molecular formula of 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide is C9H14Br3NS.
The molecular weight of 2-Thenylamine, N,N-bis(2-bromoethyl)-, hydrobromide is 404.83972 g/mol.
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