![5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile structure](/static/products/3387/338751-27-2.webp)
5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile
TL;DR: 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile (CAS 338751-27-2) is a chemical compound with molecular formula C13H9Cl2N3S2 and molecular weight 340.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,5-dichloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(3,5-dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile, 5-[2-(3,5-dichloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C13H9Cl2N3S2 |
|---|---|
| Molecular Weight | 340.96 g/mol |
| LogP | 5.12628 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.9615 |
| Heavy Atoms | 20 |
| Complexity | 669.1601 |
Chemical Identifiers
| CAS Number | 338751-27-2 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC(=CC(=C2)Cl)Cl |
Product Overview
5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile (CAS 338751-27-2), with molecular formula C13H9Cl2N3S2 and molecular weight 340.96 g/mol. IUPAC: 5-[2-(3,5-dichloroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile
Property Insights of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile
The XLogP value of 5.12628 indicates that 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile 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-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile 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-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile?
The CAS number of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile is 338751-27-2.
What is the molecular formula of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile?
The molecular formula of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile is C13H9Cl2N3S2.
What is the molecular weight of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile?
The molecular weight of 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile is 340.96 g/mol.
Where can I buy 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile?
You can request a quote for 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(3,5-Dichloroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.