3-Allylrhodanine
TL;DR: 3-Allylrhodanine (CAS 1457-47-2) is a chemical compound with molecular formula C6H7NOS2 and molecular weight 173.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Allylrhodanine, N-Allylrhodanine, Rhodanine, 3-allyl-, 3-allyl rhodanine, N-ALLYL RHODANINE
| Molecular Formula | C6H7NOS2 |
|---|---|
| Molecular Weight | 173.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.9969 |
| Heavy Atoms | 10 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1457-47-2 |
|---|---|
| SMILES | C=CCN1C(=O)CSC1=S |
| InChIKey | GYGUTBCTEJBRAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Allylrhodanine (CAS 1457-47-2), with molecular formula C6H7NOS2 and molecular weight 173.00 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allylrhodanine
Property Insights of 3-Allylrhodanine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allylrhodanine. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allylrhodanine. Following Lipinski's Rule of Five, 3-Allylrhodanine 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-Allylrhodanine?
The CAS number of 3-Allylrhodanine is 1457-47-2.
What is the molecular formula of 3-Allylrhodanine?
The molecular formula of 3-Allylrhodanine is C6H7NOS2.
What is the molecular weight of 3-Allylrhodanine?
The molecular weight of 3-Allylrhodanine is 173.00 g/mol.
Where can I buy 3-Allylrhodanine?
You can request a quote for 3-Allylrhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allylrhodanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Allylrhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.