3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one
TL;DR: 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one (CAS 78872-46-5) is a chemical compound with molecular formula C16H12N2OS2 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-phenyl-5-(phenyliminomethyl)-1,3-thiazole-2-thione
Also Known As: BAS 00482530, 3-Phenyl-5-phenylaminomethylene-2-thioxo-thiazolidin-4-one, 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one, (5E)-5-(anilinomethylene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one, 3-phenyl-5-[(phenylamino)methylene]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C16H12N2OS2 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 4.72449 |
| Topological Polar Surface Area | 37.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0391 |
| Heavy Atoms | 21 |
| Complexity | 820.4882 |
Chemical Identifiers
| CAS Number | 78872-46-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(N(C(=S)S2)C3=CC=CC=C3)O |
Product Overview
3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one (CAS 78872-46-5), with molecular formula C16H12N2OS2 and molecular weight 312.04 g/mol. IUPAC: 4-hydroxy-3-phenyl-5-(phenyliminomethyl)-1,3-thiazole-2-thione.
Chemical Property Profile of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one
Property Insights of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one
The XLogP value of 4.72449 indicates that 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.52 Ų, 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-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 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one?
The CAS number of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one is 78872-46-5.
What is the molecular formula of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one?
The molecular formula of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one is C16H12N2OS2.
What is the molecular weight of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one?
The molecular weight of 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one is 312.04 g/mol.
Where can I buy 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one?
You can request a quote for 3-Phenyl-5-phenylaminomethylene-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 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-phenylaminomethylene-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.