(E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile
TL;DR: (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile (CAS 312924-52-0) is a chemical compound with molecular formula C12H8N2OS2 and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Also Known As: A0896/0042052, (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile, 4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile, 4-{[(5E)-3-METHYL-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZONITRILE
| Molecular Formula | C12H8N2OS2 |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 2.38928 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0078 |
| Heavy Atoms | 17 |
| Complexity | 554.8635 |
Chemical Identifiers
| CAS Number | 312924-52-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC=C(C=C2)C#N)/SC1=S |
Product Overview
(E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile (CAS 312924-52-0), with molecular formula C12H8N2OS2 and molecular weight 260.01 g/mol. IUPAC: 4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile.
Chemical Property Profile of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile
Property Insights of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile
The XLogP value of 2.38928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile 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)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile?
The CAS number of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile is 312924-52-0.
What is the molecular formula of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile?
The molecular formula of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile is C12H8N2OS2.
What is the molecular weight of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile?
The molecular weight of (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile is 260.01 g/mol.
Where can I buy (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile?
You can request a quote for (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.