1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol
TL;DR: 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol (CAS 100622-93-3) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chlorophenyl)methyl]-1H-benzimidazole-2-thione
Also Known As: 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol, 1-(4-Chloro-benzyl)-1H-benzoimidazole-2-thiol, 1-(4-chlorobenzyl)-1H-benzo[d]imidazole-2-thiol, 3-[(4-chlorophenyl)methyl]-1H-benzimidazole-2-thione, 1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole-2-thiol
Technical Specifications
| Molecular Formula | C14H11ClN2S |
| Molecular Weight | 274.03314 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03314 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1=CC=C2C(=C1)NC(=S)N2CC3=CC=C(C=C3)Cl |
| InChIKey | YCOVCAYEBVTXBM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol
Property Insights of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol
The XLogP value of 3.5 indicates that 1-(4-chlorobenzyl)-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 47.4 Ų, 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-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
What is the CAS number of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol?
The CAS number of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol is 100622-93-3.
What is the molecular formula of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol?
The molecular formula of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol is C14H11ClN2S.
What is the molecular weight of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol?
The molecular weight of 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol is 274.03314 g/mol.
Where can I buy 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol?
You can request a quote for 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 1-(4-chlorobenzyl)-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.