![3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione structure](/static/products/999/99960-22-2.png)
3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione
TL;DR: 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione (CAS 99960-22-2) is a chemical compound with molecular formula C14H11FN2S and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione
Also Known As: 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole-2-thiol, 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione, 1-(4-fluorobenzyl)-1H-benzimidazole-2-thiol, 1-(4-fluorobenzyl)-1H-benzo[d]imidazole-2-thiol, 1-[(4-fluorophenyl)methyl]benzimidazole-2-thiol
| Molecular Formula | C14H11FN2S |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.88629 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.06268 |
| Heavy Atoms | 18 |
| Complexity | 740.325 |
Chemical Identifiers
| CAS Number | 99960-22-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)N2CC3=CC=C(C=C3)F |
Product Overview
3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione (CAS 99960-22-2), with molecular formula C14H11FN2S and molecular weight 258.06 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione.
Chemical Property Profile of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione
Property Insights of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione
The XLogP value of 3.88629 indicates that 3-[(4-fluorophenyl)methyl]-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-fluorophenyl)methyl]-1H-benzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-fluorophenyl)methyl]-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-fluorophenyl)methyl]-1H-benzimidazole-2-thione?
The CAS number of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione is 99960-22-2.
What is the molecular formula of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione?
The molecular formula of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione is C14H11FN2S.
What is the molecular weight of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione?
The molecular weight of 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione is 258.06 g/mol.
Where can I buy 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione?
You can request a quote for 3-[(4-fluorophenyl)methyl]-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-fluorophenyl)methyl]-1H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-fluorophenyl)methyl]-1H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.