4-bromo-N-(thiophen-2-ylmethyl)aniline
TL;DR: 4-bromo-N-(thiophen-2-ylmethyl)aniline (CAS 116360-53-3) is a chemical compound with molecular formula C11H10BrNS and molecular weight 266.97174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(thiophen-2-ylmethyl)aniline
Also Known As: 4-bromo-N-(thiophen-2-ylmethyl)aniline, 4-bromo-N-[(thiophen-2-yl)methyl]aniline, AB01006920-01, G33357
Technical Specifications
| Molecular Formula | C11H10BrNS |
| Molecular Weight | 266.97174 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 40.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.97174 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | C1=CSC(=C1)CNC2=CC=C(C=C2)Br |
| InChIKey | NYCGNOALCHEVCQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-N-(thiophen-2-ylmethyl)aniline
Property Insights of 4-bromo-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 3.8 indicates that 4-bromo-N-(thiophen-2-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.3 Ų, 4-bromo-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(thiophen-2-ylmethyl)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 4-bromo-N-(thiophen-2-ylmethyl)aniline is 116360-53-3.
What is the molecular formula of 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 4-bromo-N-(thiophen-2-ylmethyl)aniline is C11H10BrNS.
What is the molecular weight of 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 4-bromo-N-(thiophen-2-ylmethyl)aniline is 266.97174 g/mol.
Where can I buy 4-bromo-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 4-bromo-N-(thiophen-2-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-N-(thiophen-2-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-bromo-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.