3-Ethylrhodanine
TL;DR: 3-Ethylrhodanine (CAS 7648-01-3) is a chemical compound with molecular formula C5H7NOS2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Ethylrhodanine, N-Ethylrhodanine, 3-Ethyl-2-thioxothiazolidin-4-one, 3-Ethylrodanin, 3-Ethylrhodamine
| Molecular Formula | C5H7NOS2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.9969 |
| Heavy Atoms | 9 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 7648-01-3 |
|---|---|
| SMILES | CCN1C(=O)CSC1=S |
| InChIKey | UPCYEFFISUGBRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylrhodanine (CAS 7648-01-3), with molecular formula C5H7NOS2 and molecular weight 161.00 g/mol. IUPAC: 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Ethylrhodanine
Property Insights of 3-Ethylrhodanine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylrhodanine. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethylrhodanine. Following Lipinski's Rule of Five, 3-Ethylrhodanine has 0 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 3-Ethylrhodanine?
The CAS number of 3-Ethylrhodanine is 7648-01-3.
What is the molecular formula of 3-Ethylrhodanine?
The molecular formula of 3-Ethylrhodanine is C5H7NOS2.
What is the molecular weight of 3-Ethylrhodanine?
The molecular weight of 3-Ethylrhodanine is 161.00 g/mol.
Where can I buy 3-Ethylrhodanine?
You can request a quote for 3-Ethylrhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylrhodanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylrhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.