5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol
TL;DR: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol (CAS 852388-84-2) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1H-imidazole-2-thione
Also Known As: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1H-imidazole-2-thione, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-3H-imidazole-2-thione, 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1,3-dihydro-2H-imidazole-2-thione
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.00379 |
| Topological Polar Surface Area | 39.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 630.16174 |
Chemical Identifiers
| CAS Number | 852388-84-2 |
|---|---|
| SMILES | CCN1C(=CNC1=S)C2=CC3=C(C=C2)OCCO3 |
Product Overview
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol (CAS 852388-84-2), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1H-imidazole-2-thione.
Chemical Property Profile of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol
Property Insights of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol
The XLogP value of 3.00379 indicates that 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.18 Ų, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol has 1 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol?
The CAS number of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol is 852388-84-2.
What is the molecular formula of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol?
The molecular formula of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol is C13H14N2O2S.
What is the molecular weight of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol?
The molecular weight of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol is 262.08 g/mol.
Where can I buy 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol?
You can request a quote for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.