![5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile structure](/static/products/3387/338778-53-3.webp)
5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
TL;DR: 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile (CAS 338778-53-3) is a chemical compound with molecular formula C19H13Cl2N3S2 and molecular weight 416.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile, 5-(2-anilinovinyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
| Molecular Formula | C19H13Cl2N3S2 |
|---|---|
| Molecular Weight | 416.99 g/mol |
| LogP | 6.69668 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.9928 |
| Heavy Atoms | 26 |
| Complexity | 942.4107 |
Chemical Identifiers
| CAS Number | 338778-53-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=C(C(=NS2)SCC3=C(C=CC=C3Cl)Cl)C#N |
Product Overview
5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile (CAS 338778-53-3), with molecular formula C19H13Cl2N3S2 and molecular weight 416.99 g/mol. IUPAC: 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Property Insights of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
The XLogP value of 6.69668 indicates that 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The CAS number of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is 338778-53-3.
What is the molecular formula of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is C19H13Cl2N3S2.
What is the molecular weight of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is 416.99 g/mol.
Where can I buy 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-anilinoethenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.