(E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one (CAS 104621-52-5) is a chemical compound with molecular formula C12H10N2OS2 and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-prop-2-enyl-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00918555, AB00091136-01, 3-Allyl-5-pyridin-3-ylmethylene-2-thioxo-thiazolidin-4-one, (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one, 3-allyl-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C12H10N2OS2 |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 2.4688 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.02347 |
| Heavy Atoms | 17 |
| Complexity | 496.4869 |
Chemical Identifiers
| CAS Number | 104621-52-5 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CN=CC=C2)/SC1=S |
Product Overview
(E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one (CAS 104621-52-5), with molecular formula C12H10N2OS2 and molecular weight 262.02 g/mol. IUPAC: (5E)-3-prop-2-enyl-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
The XLogP value of 2.4688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one. With a topological polar surface area (TPSA) of 33.2 Ų, (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one has 0 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 (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one is 104621-52-5.
What is the molecular formula of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one is C12H10N2OS2.
What is the molecular weight of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one is 262.02 g/mol.
Where can I buy (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-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)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-allyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.