Thiantoin
TL;DR: Thiantoin (CAS 7772-37-4) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dione
Also Known As: Thiantoin, Phethenylate, Thyphenytoin, Thiantoine, Tiantoina
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 7772-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CS3 |
| InChIKey | DCPACFSINCUFEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiantoin (CAS 7772-37-4), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dione.
Chemical Property Profile of Thiantoin
Property Insights of Thiantoin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiantoin. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiantoin. Following Lipinski's Rule of Five, Thiantoin 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 Thiantoin?
The CAS number of Thiantoin is 7772-37-4.
What is the molecular formula of Thiantoin?
The molecular formula of Thiantoin is C13H10N2O2S.
What is the molecular weight of Thiantoin?
The molecular weight of Thiantoin is 258.05 g/mol.
Where can I buy Thiantoin?
You can request a quote for Thiantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiantoin?
Yes, KEHONG BIO provides custom synthesis services for Thiantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.