1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol
TL;DR: 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol (CAS 312290-68-9) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-1H-benzimidazole-2-thione
Also Known As: 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol, 1-(2-Chlorobenzyl)-1H-benzo[d]imidazole-2-thiol, 1-(2-Chloro-benzyl)-1H-benzoimidazole-2-thiol, 3-[(2-chlorophenyl)methyl]-1H-benzimidazole-2-thione, BB 0242028
| Molecular Formula | C14H11ClN2S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03314 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 312290-68-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3NC2=S)Cl |
| InChIKey | LRJNKGHDJXIBHV-UHFFFAOYSA-N |
Product Overview
1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol (CAS 312290-68-9), with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol
Property Insights of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol
The XLogP value of 3.5 indicates that 1-(2-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-(2-chlorobenzyl)-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-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
Frequently Asked Questions
What is the CAS number of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol?
The CAS number of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol is 312290-68-9.
What is the molecular formula of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol?
The molecular formula of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol is C14H11ClN2S.
What is the molecular weight of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol?
The molecular weight of 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol is 274.03 g/mol.
Where can I buy 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol?
You can request a quote for 1-(2-chlorobenzyl)-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-(2-chlorobenzyl)-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzyl)-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.