![5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile structure](/static/products/3387/338778-75-9.webp)
5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
TL;DR: 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338778-75-9) is a chemical compound with molecular formula C19H13ClFN3S2 and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-anilinoethenyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile, 5-(2-anilinoethenyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C19H13ClFN3S2 |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 6.18238 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.02234 |
| Heavy Atoms | 26 |
| Complexity | 944.4107 |
Chemical Identifiers
| CAS Number | 338778-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=C(C(=NS2)SCC3=C(C=CC=C3Cl)F)C#N |
Product Overview
5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338778-75-9), with molecular formula C19H13ClFN3S2 and molecular weight 401.02 g/mol. IUPAC: 5-(2-anilinoethenyl)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
Property Insights of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
The XLogP value of 6.18238 indicates that 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)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-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)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-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The CAS number of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is 338778-75-9.
What is the molecular formula of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular formula of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is C19H13ClFN3S2.
What is the molecular weight of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular weight of 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile is 401.02 g/mol.
Where can I buy 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
You can request a quote for 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)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-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-anilinovinyl)-3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.