1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
TL;DR: 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol (CAS 352330-22-4) is a chemical compound with molecular formula C15H14N2OS and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
Also Known As: 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol, 1-(4-Methoxybenzyl)-1H-benzo[d]imidazole-2-thiol, 3-[(4-methoxyphenyl)methyl]-1H-benzimidazole-2-thione, 3-p-anisyl-1H-benzimidazole-2-thione, 1-[(4-methoxyphenyl)methyl]benzimidazole-2-thiol
| Molecular Formula | C15H14N2OS |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.08267 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 352330-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C3=CC=CC=C3NC2=S |
| InChIKey | NEXWZJQHECVSJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol (CAS 352330-22-4), with molecular formula C15H14N2OS and molecular weight 270.08 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
Property Insights of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 56.6 Ų, 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol has 1 hydrogen bond donor(s) and 2 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-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol?
The CAS number of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol is 352330-22-4.
What is the molecular formula of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol?
The molecular formula of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol is C15H14N2OS.
What is the molecular weight of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol?
The molecular weight of 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol is 270.08 g/mol.
Where can I buy 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol?
You can request a quote for 1-(4-Methoxybenzyl)-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-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.