5-ethoxy-1-methyl-1H-benzimidazole-2-thiol
TL;DR: 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol (CAS 302812-79-9) is a chemical compound with molecular formula C10H12N2OS and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-3-methyl-1H-benzimidazole-2-thione
Also Known As: ChemDiv3_002098, 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol, 6-ethoxy-3-methyl-1H-benzimidazole-2-thione, IDI1_021064, 5-Ethoxy-1-methyl-1H-benzo[d]imidazole-2-thiol
| Molecular Formula | C10H12N2OS |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.06703 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 302812-79-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=S)N2)C |
| InChIKey | SZEWQQWMTCUMEJ-UHFFFAOYSA-N |
Product Overview
5-ethoxy-1-methyl-1H-benzimidazole-2-thiol (CAS 302812-79-9), with molecular formula C10H12N2OS and molecular weight 208.07 g/mol. IUPAC: 6-ethoxy-3-methyl-1H-benzimidazole-2-thione.
Chemical Property Profile of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol
Property Insights of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 56.6 Ų, 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethoxy-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-ethoxy-1-methyl-1H-benzimidazole-2-thiol?
The CAS number of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol is 302812-79-9.
What is the molecular formula of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol?
The molecular formula of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol is C10H12N2OS.
What is the molecular weight of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol?
The molecular weight of 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol is 208.07 g/mol.
Where can I buy 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol?
You can request a quote for 5-ethoxy-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-ethoxy-1-methyl-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-1-methyl-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.