3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one
TL;DR: 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one (CAS 102880-29-5) is a chemical compound with molecular formula C10H16N2OS and molecular weight 212.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Also Known As: NIOSH/NJ0775200, 3-allyl-5-sec-butyl-2-thioxoimidazolidin-4-one, 3-allyl-5-sec-butyl-2-thioxo-4-imidazolidinone, 5-butan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one, AN-038/14477017
Technical Specifications
| Molecular Formula | C10H16N2OS |
| Molecular Weight | 212.09833 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.09833 Da |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
| SMILES | CCC(C)C1C(=O)N(C(=S)N1)CC=C |
| InChIKey | CSEJZCOHPYDFLM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one
Property Insights of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 3-Allyl-5-sec-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-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one?
The CAS number of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one is 102880-29-5.
What is the molecular formula of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one?
The molecular formula of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one is C10H16N2OS.
What is the molecular weight of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one?
The molecular weight of 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one is 212.09833 g/mol.
Where can I buy 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one?
You can request a quote for 3-Allyl-5-sec-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-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.