4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione
TL;DR: 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione (CAS 54932-72-8) is a chemical compound with molecular formula C8H4ClF3N2S and molecular weight 251.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
Also Known As: 5-Bromo-2-chlorotoluene, 4-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole-2-thiol, 4-Chloro-2-mercapto-6-(trifluoromethyl)benzimidazole, 4-Chloro-2-mercapto-6-(trifluoromethyl)-benzimidazole, 5683AD
| Molecular Formula | C8H4ClF3N2S |
|---|---|
| Molecular Weight | 251.97 g/mol |
| LogP | 3.89769 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.97359 |
| Heavy Atoms | 15 |
| Complexity | 569.251 |
Chemical Identifiers
| CAS Number | 54932-72-8 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=S)N2)Cl)C(F)(F)F |
Product Overview
4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione (CAS 54932-72-8), with molecular formula C8H4ClF3N2S and molecular weight 251.97 g/mol. IUPAC: 4-chloro-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione
Property Insights of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione
The XLogP value of 3.89769 indicates that 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione 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-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione 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-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione?
The CAS number of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione is 54932-72-8.
What is the molecular formula of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione?
The molecular formula of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione is C8H4ClF3N2S.
What is the molecular weight of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione?
The molecular weight of 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione is 251.97 g/mol.
Where can I buy 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione?
You can request a quote for 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-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 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.