1-Butylimidazolidine-2-thione
TL;DR: 1-Butylimidazolidine-2-thione (CAS 153804-42-3) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperazine
Also Known As: 1-Butylimidazolidine-2-thione, 8-((3-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)oxy)thiochroman, Piperazine, 1-(2-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)ethyl)-4-(2-methoxyphenyl)-, 1-(2-((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)ethyl)-4-(2-methoxyphenyl)piperazine, 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperazine
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 3.9345 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 759.728 |
Chemical Identifiers
| CAS Number | 153804-42-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCOC3=CC=CC4=C3SCCC4 |
Product Overview
1-Butylimidazolidine-2-thione (CAS 153804-42-3), with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol. IUPAC: 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperazine.
Chemical Property Profile of 1-Butylimidazolidine-2-thione
Property Insights of 1-Butylimidazolidine-2-thione
The XLogP value of 3.9345 indicates that 1-Butylimidazolidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, 1-Butylimidazolidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylimidazolidine-2-thione has 0 hydrogen bond donor(s) and 5 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 1-Butylimidazolidine-2-thione?
The CAS number of 1-Butylimidazolidine-2-thione is 153804-42-3.
What is the molecular formula of 1-Butylimidazolidine-2-thione?
The molecular formula of 1-Butylimidazolidine-2-thione is C22H28N2O2S.
What is the molecular weight of 1-Butylimidazolidine-2-thione?
The molecular weight of 1-Butylimidazolidine-2-thione is 384.19 g/mol.
Where can I buy 1-Butylimidazolidine-2-thione?
You can request a quote for 1-Butylimidazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylimidazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylimidazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.