2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one
TL;DR: 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one (CAS 917985-98-9) 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.
(5E)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(3-Pyridylmethylene)rhodanine, Rhodanine, 5-(3-pyridylmethylene)-, 5- -2-thioxothiazolidin-4-one, 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one, BAS 02849802
| Molecular Formula | C9H6N2OS2 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.99216 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 917985-98-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/2\C(=O)NC(=S)S2 |
| InChIKey | WCMBSDRTRVIVGG-QPJJXVBHSA-N |
Product Overview
2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one (CAS 917985-98-9), with molecular formula C9H6N2OS2 and molecular weight 221.99 g/mol. IUPAC: (5E)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one
Property Insights of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one. Following Lipinski's Rule of Five, 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one 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 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one?
The CAS number of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one is 917985-98-9.
What is the molecular formula of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one?
The molecular formula of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one is C9H6N2OS2.
What is the molecular weight of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one?
The molecular weight of 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one is 221.99 g/mol.
Where can I buy 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one?
You can request a quote for 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-5-pyridin-3-ylmethylene-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.