5-methoxy-1-methyl-1H-benzimidazole-2-thiol
TL;DR: 5-methoxy-1-methyl-1H-benzimidazole-2-thiol (CAS 58764-00-4) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-methyl-1H-benzimidazole-2-thione
Also Known As: Esomeprazole Impurity 42, 5-methoxy-1-methyl-1H-benzimidazole-2-thiol, 6-methoxy-3-methyl-1H-benzimidazole-2-thione, 5-methoxy-1-methyl-1H-benzo[d]imidazole-2(3H)-thione, Omeprazole N1-Methyl 5-Methoxy Thiol Impurity
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.24449 |
| Topological Polar Surface Area | 29.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 497.7743 |
Chemical Identifiers
| CAS Number | 58764-00-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)NC1=S |
Product Overview
5-methoxy-1-methyl-1H-benzimidazole-2-thiol (CAS 58764-00-4), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: 6-methoxy-3-methyl-1H-benzimidazole-2-thione.
Chemical Property Profile of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol
Property Insights of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol
The XLogP value of 2.24449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-1-methyl-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 29.95 Ų, 5-methoxy-1-methyl-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methoxy-1-methyl-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 5-methoxy-1-methyl-1H-benzimidazole-2-thiol?
The CAS number of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol is 58764-00-4.
What is the molecular formula of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol?
The molecular formula of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol is C9H10N2OS.
What is the molecular weight of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol?
The molecular weight of 5-methoxy-1-methyl-1H-benzimidazole-2-thiol is 194.05 g/mol.
Where can I buy 5-methoxy-1-methyl-1H-benzimidazole-2-thiol?
You can request a quote for 5-methoxy-1-methyl-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 5-methoxy-1-methyl-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-1-methyl-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.