5-Furfurylidene-2-thiohydantoin
TL;DR: 5-Furfurylidene-2-thiohydantoin (CAS 618-81-5) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-Furfurylidene-2-thiohydantoin, 5-Furfural-2-thiohydantoin, 5-Furfural-2-thioxoimidazolidin-4-one, 2-Thioxo-4-furfurylideneimidazolidine-5-one, 4-Furfurylidene-5-oxo-2-thiooxoimidazolidine
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 618-81-5 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | GARSQZBFJYWLJC-GQCTYLIASA-N |
Product Overview
5-Furfurylidene-2-thiohydantoin (CAS 618-81-5), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: (5E)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-Furfurylidene-2-thiohydantoin
Property Insights of 5-Furfurylidene-2-thiohydantoin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Furfurylidene-2-thiohydantoin. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Furfurylidene-2-thiohydantoin. Following Lipinski's Rule of Five, 5-Furfurylidene-2-thiohydantoin has 2 hydrogen bond donor(s) and 3 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-Furfurylidene-2-thiohydantoin?
The CAS number of 5-Furfurylidene-2-thiohydantoin is 618-81-5.
What is the molecular formula of 5-Furfurylidene-2-thiohydantoin?
The molecular formula of 5-Furfurylidene-2-thiohydantoin is C8H6N2O2S.
What is the molecular weight of 5-Furfurylidene-2-thiohydantoin?
The molecular weight of 5-Furfurylidene-2-thiohydantoin is 194.01 g/mol.
Where can I buy 5-Furfurylidene-2-thiohydantoin?
You can request a quote for 5-Furfurylidene-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-Furfurylidene-2-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 5-Furfurylidene-2-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.