4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol
TL;DR: 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol (CAS 175135-17-8) is a chemical compound with molecular formula C8H4BrF3N2S and molecular weight 295.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
Also Known As: 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol, 3-Methoxyazetidine hydrochloride, 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole-2-thiol, 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione, I14-3767
| Molecular Formula | C8H4BrF3N2S |
|---|---|
| Molecular Weight | 295.92 g/mol |
| LogP | 4.00679 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.92307 |
| Heavy Atoms | 15 |
| Complexity | 569.251 |
Chemical Identifiers
| CAS Number | 175135-17-8 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=S)N2)Br)C(F)(F)F |
Product Overview
4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol (CAS 175135-17-8), with molecular formula C8H4BrF3N2S and molecular weight 295.92 g/mol. IUPAC: 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol
Property Insights of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol
The XLogP value of 4.00679 indicates that 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.58 Ų, 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol has 2 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 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?
The CAS number of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol is 175135-17-8.
What is the molecular formula of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?
The molecular formula of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol is C8H4BrF3N2S.
What is the molecular weight of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?
The molecular weight of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol is 295.92 g/mol.
Where can I buy 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?
You can request a quote for 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.