1-Acetylimidazolidinethione
TL;DR: 1-Acetylimidazolidinethione (CAS 5391-52-6) is a chemical compound with molecular formula C5H8N2OS and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-sulfanylideneimidazolidin-1-yl)ethanone
Also Known As: 1-Acetylimidazolidinethione, Tizanidine related compound C, Tizanidine Impurity C, 1-Acetylimidazolidine-2-thione, N-acetylimidazolidinethione
| Molecular Formula | C5H8N2OS |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | -0.277 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.03574 |
| Heavy Atoms | 9 |
| Complexity | 157.03699 |
Chemical Identifiers
| CAS Number | 5391-52-6 |
|---|---|
| SMILES | CC(=O)N1CCNC1=S |
Product Overview
1-Acetylimidazolidinethione (CAS 5391-52-6), with molecular formula C5H8N2OS and molecular weight 144.04 g/mol. IUPAC: 1-(2-sulfanylideneimidazolidin-1-yl)ethanone.
Chemical Property Profile of 1-Acetylimidazolidinethione
Property Insights of 1-Acetylimidazolidinethione
The XLogP value of -0.277 indicates that 1-Acetylimidazolidinethione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.34 Ų, 1-Acetylimidazolidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetylimidazolidinethione 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 1-Acetylimidazolidinethione?
The CAS number of 1-Acetylimidazolidinethione is 5391-52-6.
What is the molecular formula of 1-Acetylimidazolidinethione?
The molecular formula of 1-Acetylimidazolidinethione is C5H8N2OS.
What is the molecular weight of 1-Acetylimidazolidinethione?
The molecular weight of 1-Acetylimidazolidinethione is 144.04 g/mol.
Where can I buy 1-Acetylimidazolidinethione?
You can request a quote for 1-Acetylimidazolidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetylimidazolidinethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetylimidazolidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.