3-Butyl-2-thioxoimidazolidin-4-one
TL;DR: 3-Butyl-2-thioxoimidazolidin-4-one (CAS 162150-91-6) is a chemical compound with molecular formula C7H12N2OS and molecular weight 172.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-butyl-2-thioxoimidazolidin-4-one, 3-butyl-2-sulfanylideneimidazolidin-4-one, 3-Butyl-2-thioxo-4-imidazolidinone, 3-butyl-2-thioxo-imidazolidin-4-one, 1-butyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
Technical Specifications
| Molecular Formula | C7H12N2OS |
| Molecular Weight | 172.06703 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.06703 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | CCCCN1C(=O)CNC1=S |
| InChIKey | JIPAXYGBULGOLF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyl-2-thioxoimidazolidin-4-one
Property Insights of 3-Butyl-2-thioxoimidazolidin-4-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-2-thioxoimidazolidin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 3-Butyl-2-thioxoimidazolidin-4-one 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
What is the CAS number of 3-Butyl-2-thioxoimidazolidin-4-one?
The CAS number of 3-Butyl-2-thioxoimidazolidin-4-one is 162150-91-6.
What is the molecular formula of 3-Butyl-2-thioxoimidazolidin-4-one?
The molecular formula of 3-Butyl-2-thioxoimidazolidin-4-one is C7H12N2OS.
What is the molecular weight of 3-Butyl-2-thioxoimidazolidin-4-one?
The molecular weight of 3-Butyl-2-thioxoimidazolidin-4-one is 172.06703 g/mol.
Where can I buy 3-Butyl-2-thioxoimidazolidin-4-one?
You can request a quote for 3-Butyl-2-thioxoimidazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyl-2-thioxoimidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Butyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.