3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one
TL;DR: 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one (CAS 102880-28-4) is a chemical compound with molecular formula C10H16N2OS and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Also Known As: NIOSH/NJ0619000, 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one, 3-allyl-5-butyl-2-thioxoimidazolidin-4-one, BAS 02912640, 5-Butyl-3-(2-propenyl)-2-thioxo-4-imidazolidinone
| Molecular Formula | C10H16N2OS |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.4479 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.09833 |
| Heavy Atoms | 14 |
| Complexity | 252.50655 |
Chemical Identifiers
| CAS Number | 102880-28-4 |
|---|---|
| SMILES | CCCCC1C(=O)N(C(=S)N1)CC=C |
Product Overview
3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one (CAS 102880-28-4), with molecular formula C10H16N2OS and molecular weight 212.10 g/mol. IUPAC: 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one
Property Insights of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one
The XLogP value of 1.4479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-butyl-2-thioxo-imidazolidin-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
Frequently Asked Questions
What is the CAS number of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one?
The CAS number of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one is 102880-28-4.
What is the molecular formula of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one?
The molecular formula of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one is C10H16N2OS.
What is the molecular weight of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one?
The molecular weight of 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one is 212.10 g/mol.
Where can I buy 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one?
You can request a quote for 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.