Rhodanine, 5-(4-pyridylmethylene)-
TL;DR: Rhodanine, 5-(4-pyridylmethylene)- (CAS 917985-99-0) is a chemical compound with molecular formula C9H6N2OS2 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(4-Pyridylmethylene)rhodanine, Rhodanine, 5-(4-pyridylmethylene)-, 4-27-00-07762 (Beilstein Handbook Reference), 5-[4]pyridylmethylene-2-thioxo-thiazolidin-4-one, (Z)-5-(pyridin-4-ylmethylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C9H6N2OS2 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.5704 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.99216 |
| Heavy Atoms | 14 |
| Complexity | 414.07996 |
Chemical Identifiers
| CAS Number | 917985-99-0 |
|---|---|
| SMILES | C1=CN=CC=C1/C=C\2/C(=O)NC(=S)S2 |
Product Overview
Rhodanine, 5-(4-pyridylmethylene)- (CAS 917985-99-0), with molecular formula C9H6N2OS2 and molecular weight 221.99 g/mol. IUPAC: (5Z)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Rhodanine, 5-(4-pyridylmethylene)-
Property Insights of Rhodanine, 5-(4-pyridylmethylene)-
The XLogP value of 1.5704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhodanine, 5-(4-pyridylmethylene)-. With a topological polar surface area (TPSA) of 41.99 Ų, Rhodanine, 5-(4-pyridylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rhodanine, 5-(4-pyridylmethylene)- has 1 hydrogen bond donor(s) and 4 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 Rhodanine, 5-(4-pyridylmethylene)-?
The CAS number of Rhodanine, 5-(4-pyridylmethylene)- is 917985-99-0.
What is the molecular formula of Rhodanine, 5-(4-pyridylmethylene)-?
The molecular formula of Rhodanine, 5-(4-pyridylmethylene)- is C9H6N2OS2.
What is the molecular weight of Rhodanine, 5-(4-pyridylmethylene)-?
The molecular weight of Rhodanine, 5-(4-pyridylmethylene)- is 221.99 g/mol.
Where can I buy Rhodanine, 5-(4-pyridylmethylene)-?
You can request a quote for Rhodanine, 5-(4-pyridylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanine, 5-(4-pyridylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Rhodanine, 5-(4-pyridylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.