N-Phenylrhodanine
TL;DR: N-Phenylrhodanine (CAS 1457-46-1) is a chemical compound with molecular formula C9H7NOS2 and molecular weight 209.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Phenylrhodanine, N-Phenylrhodanine, 3-Phenylrhodanin, 3-Phenylrodanin, N-Phenyl-rhodanine
| Molecular Formula | C9H7NOS2 |
|---|---|
| Molecular Weight | 209.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.9969 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 1457-46-1 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC=CC=C2 |
| InChIKey | DVRWEKGUWZINTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Phenylrhodanine (CAS 1457-46-1), with molecular formula C9H7NOS2 and molecular weight 209.00 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of N-Phenylrhodanine
Property Insights of N-Phenylrhodanine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenylrhodanine. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Phenylrhodanine. Following Lipinski's Rule of Five, N-Phenylrhodanine 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 N-Phenylrhodanine?
The CAS number of N-Phenylrhodanine is 1457-46-1.
What is the molecular formula of N-Phenylrhodanine?
The molecular formula of N-Phenylrhodanine is C9H7NOS2.
What is the molecular weight of N-Phenylrhodanine?
The molecular weight of N-Phenylrhodanine is 209.00 g/mol.
Where can I buy N-Phenylrhodanine?
You can request a quote for N-Phenylrhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenylrhodanine?
Yes, KEHONG BIO provides custom synthesis services for N-Phenylrhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.