3-(4-bromophenyl)-1H-benzimidazole-2-thione
TL;DR: 3-(4-bromophenyl)-1H-benzimidazole-2-thione (CAS 503180-94-7) is a chemical compound with molecular formula C13H9BrN2S and molecular weight 303.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1H-benzimidazole-2-thione
Also Known As: 3-(4-bromophenyl)-1H-benzimidazole-2-thione, 1-(4-Bromophenyl)-1h-1,3-benzodiazole-2-thiol, 3-(4-bromophenyl)-1H-benzoimidazole-2-thione, 1-(4-bromophenyl)-3-hydrobenzimidazole-2-thione, 1-(4-Bromophenyl)-1H-benzo[d]imidazole-2-thiol
| Molecular Formula | C13H9BrN2S |
|---|---|
| Molecular Weight | 303.97 g/mol |
| LogP | 4.45059 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.96698 |
| Heavy Atoms | 17 |
| Complexity | 725.00934 |
Chemical Identifiers
| CAS Number | 503180-94-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)N2C3=CC=C(C=C3)Br |
Product Overview
3-(4-bromophenyl)-1H-benzimidazole-2-thione (CAS 503180-94-7), with molecular formula C13H9BrN2S and molecular weight 303.97 g/mol. IUPAC: 3-(4-bromophenyl)-1H-benzimidazole-2-thione.
Chemical Property Profile of 3-(4-bromophenyl)-1H-benzimidazole-2-thione
Property Insights of 3-(4-bromophenyl)-1H-benzimidazole-2-thione
The XLogP value of 4.45059 indicates that 3-(4-bromophenyl)-1H-benzimidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 3-(4-bromophenyl)-1H-benzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-1H-benzimidazole-2-thione has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-bromophenyl)-1H-benzimidazole-2-thione?
The CAS number of 3-(4-bromophenyl)-1H-benzimidazole-2-thione is 503180-94-7.
What is the molecular formula of 3-(4-bromophenyl)-1H-benzimidazole-2-thione?
The molecular formula of 3-(4-bromophenyl)-1H-benzimidazole-2-thione is C13H9BrN2S.
What is the molecular weight of 3-(4-bromophenyl)-1H-benzimidazole-2-thione?
The molecular weight of 3-(4-bromophenyl)-1H-benzimidazole-2-thione is 303.97 g/mol.
Where can I buy 3-(4-bromophenyl)-1H-benzimidazole-2-thione?
You can request a quote for 3-(4-bromophenyl)-1H-benzimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-1H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-1H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.