5-Methylrhodanine
TL;DR: 5-Methylrhodanine (CAS 1986-44-3) is a chemical compound with molecular formula C4H5NOS2 and molecular weight 146.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Methylrhodanine, 5-Methylrodanin, Rhodanine, 5-methyl-, 5-methyl-2-thioxo-thiazolidin-4-one, 5-methyl-2-thioxothiazol-idin-4-one
| Molecular Formula | C4H5NOS2 |
|---|---|
| Molecular Weight | 146.98 g/mol |
| LogP | 0.5228 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.98126 |
| Heavy Atoms | 8 |
| Complexity | 144.97374 |
Chemical Identifiers
| CAS Number | 1986-44-3 |
|---|---|
| SMILES | CC1C(=O)NC(=S)S1 |
Product Overview
5-Methylrhodanine (CAS 1986-44-3), with molecular formula C4H5NOS2 and molecular weight 146.98 g/mol. IUPAC: 5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-Methylrhodanine
Property Insights of 5-Methylrhodanine
The XLogP value of 0.5228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylrhodanine. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Methylrhodanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylrhodanine has 1 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-Methylrhodanine?
The CAS number of 5-Methylrhodanine is 1986-44-3.
What is the molecular formula of 5-Methylrhodanine?
The molecular formula of 5-Methylrhodanine is C4H5NOS2.
What is the molecular weight of 5-Methylrhodanine?
The molecular weight of 5-Methylrhodanine is 146.98 g/mol.
Where can I buy 5-Methylrhodanine?
You can request a quote for 5-Methylrhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylrhodanine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylrhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.