5,6-diethoxybenzimidazoline-2-thione
TL;DR: 5,6-diethoxybenzimidazoline-2-thione (CAS 112903-53-4) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diethoxy-1,3-dihydrobenzimidazole-2-thione
Also Known As: 5,6-diethoxybenzimidazoline-2-thione, 5,6-diethoxybenzimidazole-2-thiol, 5,6-diethoxy-1,3-dihydrobenzimidazole-2-thione, 5,6-diethoxy-1,3-dihydrobenzoimidazole-2-thione, 2H-Benzimidazole-2-thione, 5,6-diethoxy-1,3-dihydro-
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 3.02289 |
| Topological Polar Surface Area | 50.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 498.3984 |
Chemical Identifiers
| CAS Number | 112903-53-4 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)NC(=S)N2)OCC |
Product Overview
5,6-diethoxybenzimidazoline-2-thione (CAS 112903-53-4), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: 5,6-diethoxy-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 5,6-diethoxybenzimidazoline-2-thione
Property Insights of 5,6-diethoxybenzimidazoline-2-thione
The XLogP value of 3.02289 indicates that 5,6-diethoxybenzimidazoline-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.04 Ų, 5,6-diethoxybenzimidazoline-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-diethoxybenzimidazoline-2-thione 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 5,6-diethoxybenzimidazoline-2-thione?
The CAS number of 5,6-diethoxybenzimidazoline-2-thione is 112903-53-4.
What is the molecular formula of 5,6-diethoxybenzimidazoline-2-thione?
The molecular formula of 5,6-diethoxybenzimidazoline-2-thione is C11H14N2O2S.
What is the molecular weight of 5,6-diethoxybenzimidazoline-2-thione?
The molecular weight of 5,6-diethoxybenzimidazoline-2-thione is 238.08 g/mol.
Where can I buy 5,6-diethoxybenzimidazoline-2-thione?
You can request a quote for 5,6-diethoxybenzimidazoline-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-diethoxybenzimidazoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-diethoxybenzimidazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.