5-Piperonylidene-2-thiohydantoin
TL;DR: 5-Piperonylidene-2-thiohydantoin (CAS 28824-65-9) is a chemical compound with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-Piperonylidene-2-thiohydantoin, BIM-0016670.P001, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-4-imidazolidinone, 5-[(Z)-3,4-(methylenedioxy)-benzylidene)]-2-thiohydantoin
| Molecular Formula | C11H8N2O3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02556 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 28824-65-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)NC(=S)N3 |
| InChIKey | PKAJHHBFVYAMMP-XVNBXDOJSA-N |
Product Overview
5-Piperonylidene-2-thiohydantoin (CAS 28824-65-9), with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol. IUPAC: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-Piperonylidene-2-thiohydantoin
Property Insights of 5-Piperonylidene-2-thiohydantoin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Piperonylidene-2-thiohydantoin. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Piperonylidene-2-thiohydantoin. Following Lipinski's Rule of Five, 5-Piperonylidene-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-Piperonylidene-2-thiohydantoin?
The CAS number of 5-Piperonylidene-2-thiohydantoin is 28824-65-9.
What is the molecular formula of 5-Piperonylidene-2-thiohydantoin?
The molecular formula of 5-Piperonylidene-2-thiohydantoin is C11H8N2O3S.
What is the molecular weight of 5-Piperonylidene-2-thiohydantoin?
The molecular weight of 5-Piperonylidene-2-thiohydantoin is 248.03 g/mol.
Where can I buy 5-Piperonylidene-2-thiohydantoin?
You can request a quote for 5-Piperonylidene-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-Piperonylidene-2-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 5-Piperonylidene-2-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.