1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol
TL;DR: 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol (CAS 698984-22-4) is a chemical compound with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione
Also Known As: BAS 13090591, 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol, 1-cyclopropyl-5-(trifluoromethyl)benzimidazole-2-thiol, 3-cyclopropyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione, 1-Cyclopropyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol
| Molecular Formula | C11H9F3N2S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 4.05259 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.04385 |
| Heavy Atoms | 17 |
| Complexity | 634.18445 |
Chemical Identifiers
| CAS Number | 698984-22-4 |
|---|---|
| SMILES | C1CC1N2C3=C(C=C(C=C3)C(F)(F)F)NC2=S |
Product Overview
1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol (CAS 698984-22-4), with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol. IUPAC: 3-cyclopropyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol
Property Insights of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol
The XLogP value of 4.05259 indicates that 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol 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 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol?
The CAS number of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol is 698984-22-4.
What is the molecular formula of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol?
The molecular formula of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol is C11H9F3N2S.
What is the molecular weight of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol?
The molecular weight of 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol is 258.04 g/mol.
Where can I buy 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol?
You can request a quote for 1-cyclopropyl-5-(trifluoromethyl)-1H-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 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.