![5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile structure](/static/products/1164/1164507-55-4.webp)
5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
TL;DR: 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile (CAS 1164507-55-4) is a chemical compound with molecular formula C13H10ClN3S2 and molecular weight 307.00046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3-chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(3-chloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile, 5-[2-(3-chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C13H10ClN3S2 |
| Molecular Weight | 307.00046 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.00046 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC(=CC=C2)Cl |
| InChIKey | PIVJUWQZDWVUGW-UHFFFAOYSA-N |
Chemical Property Profile of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Property Insights of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
The XLogP value of 4.2 indicates that 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The CAS number of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is 1164507-55-4.
What is the molecular formula of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is C13H10ClN3S2.
What is the molecular weight of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is 307.00046 g/mol.
Where can I buy 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-[2-(3-Chloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.