![5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile structure](/static/products/3387/338778-73-7.webp)
5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
TL;DR: 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338778-73-7) is a chemical compound with molecular formula C19H12Cl3N3S2 and molecular weight 450.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile, 5-[2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C19H12Cl3N3S2 |
|---|---|
| Molecular Weight | 450.95 g/mol |
| LogP | 7.35008 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.95383 |
| Heavy Atoms | 27 |
| Complexity | 1008.0296 |
Chemical Identifiers
| CAS Number | 338778-73-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC2=C(C(=NS2)SCC3=C(C=C(C=C3)Cl)Cl)C#N)Cl |
Product Overview
5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338778-73-7), with molecular formula C19H12Cl3N3S2 and molecular weight 450.95 g/mol. IUPAC: 5-[2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
Property Insights of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
The XLogP value of 7.35008 indicates that 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-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-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-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-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The CAS number of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is 338778-73-7.
What is the molecular formula of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular formula of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is C19H12Cl3N3S2.
What is the molecular weight of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular weight of 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is 450.95 g/mol.
Where can I buy 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
You can request a quote for 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-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-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-chloroanilino)vinyl]-3-[(2,4-dichlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.