(E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one
TL;DR: (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one (CAS 145693-82-9) is a chemical compound with molecular formula C9H7N3OS and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one, (5E)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one, 2-Thioxo-5-(3-pyridinylmethylene)imidazolidin-4-one, 5-(3-pyridylmethylene)-2-thioxo-1,3-diazolidin-4-one, (5E)-5-(3-pyridinylmethylene)-2-thioxo-4-imidazolidinone
| Molecular Formula | C9H7N3OS |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03099 |
| Heavy Atoms | 14 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 145693-82-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | JXSHZRKKQXDPHT-QPJJXVBHSA-N |
Product Overview
(E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one (CAS 145693-82-9), with molecular formula C9H7N3OS and molecular weight 205.03 g/mol. IUPAC: (5E)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one
Property Insights of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one has 2 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 (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one?
The CAS number of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one is 145693-82-9.
What is the molecular formula of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one?
The molecular formula of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one is C9H7N3OS.
What is the molecular weight of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one?
The molecular weight of (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one is 205.03 g/mol.
Where can I buy (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one?
You can request a quote for (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.