4,7-dimethoxy-1H-benzimidazole-2-thiol
TL;DR: 4,7-dimethoxy-1H-benzimidazole-2-thiol (CAS 95306-53-9) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethoxy-1,3-dihydrobenzimidazole-2-thione
Also Known As: 4,7-dimethoxy-1H-benzimidazole-2-thiol, 4,7-dimethoxy-1,3-dihydrobenzimidazole-2-thione, 4,7-dimethoxy-2-mercaptobenzimidazole, 4,7-dimethoxybenzimidazole-2-thiol, 1H-benzimidazole-2-thiol, 4,7-dimethoxy-
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.24269 |
| Topological Polar Surface Area | 50.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 470.99658 |
Chemical Identifiers
| CAS Number | 95306-53-9 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)OC)NC(=S)N2 |
Product Overview
4,7-dimethoxy-1H-benzimidazole-2-thiol (CAS 95306-53-9), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 4,7-dimethoxy-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 4,7-dimethoxy-1H-benzimidazole-2-thiol
Property Insights of 4,7-dimethoxy-1H-benzimidazole-2-thiol
The XLogP value of 2.24269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-dimethoxy-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 50.04 Ų, 4,7-dimethoxy-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-dimethoxy-1H-benzimidazole-2-thiol has 2 hydrogen bond donor(s) and 3 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 4,7-dimethoxy-1H-benzimidazole-2-thiol?
The CAS number of 4,7-dimethoxy-1H-benzimidazole-2-thiol is 95306-53-9.
What is the molecular formula of 4,7-dimethoxy-1H-benzimidazole-2-thiol?
The molecular formula of 4,7-dimethoxy-1H-benzimidazole-2-thiol is C9H10N2O2S.
What is the molecular weight of 4,7-dimethoxy-1H-benzimidazole-2-thiol?
The molecular weight of 4,7-dimethoxy-1H-benzimidazole-2-thiol is 210.05 g/mol.
Where can I buy 4,7-dimethoxy-1H-benzimidazole-2-thiol?
You can request a quote for 4,7-dimethoxy-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 4,7-dimethoxy-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,7-dimethoxy-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.