![5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin structure](/static/products/288/28824-68-2.png)
5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin
TL;DR: 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin (CAS 28824-68-2) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin, 5-benzo[1,3]dioxol-5-ylmethyl-2-thioxo-imidazolidin-4-one, 5-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-4-imidazolidinone #, 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylideneimidazolidin-4-one, 5-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-thioxo-1,3-diazolidin-4-one
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 0.3307 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 503.48996 |
Chemical Identifiers
| CAS Number | 28824-68-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC3C(=O)NC(=S)N3 |
Product Overview
5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin (CAS 28824-68-2), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin
Property Insights of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin
The XLogP value of 0.3307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin. With a topological polar surface area (TPSA) of 59.59 Ų, 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin has 2 hydrogen bond donor(s) and 4 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 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin?
The CAS number of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin is 28824-68-2.
What is the molecular formula of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin?
The molecular formula of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin is C11H10N2O3S.
What is the molecular weight of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin?
The molecular weight of 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin is 250.04 g/mol.
Where can I buy 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin?
You can request a quote for 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 5-[3,4-Methylenedioxybenzyl]-2-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.