![4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- structure](/static/products/4985/498560-84-2.webp)
4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-
TL;DR: 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- (CAS 498560-84-2) is a chemical compound with molecular formula C19H16N2OS2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-[4-(2-phenylethoxy)phenyl]-1,2-thiazole-4-carbonitrile
Also Known As: N-CBZ-N'-BOC-L-2,4-DIAMINOBUTYRIC ACID, 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-, 3-methylsulfanyl-5-(4-phenethyloxyphenyl)isothiazole-4-carbonitrile, 3-methylsulfanyl-5-(4-phenethyloxyphenyl)-1,2-thiazole-4-carbonitrile, 3-methylsulfanyl-5-[4-(2-phenylethoxy)phenyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C19H16N2OS2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.0704 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 498560-84-2 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCC3=CC=CC=C3 |
| InChIKey | XXJURCRMHFSNMK-UHFFFAOYSA-N |
Product Overview
4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- (CAS 498560-84-2), with molecular formula C19H16N2OS2 and molecular weight 352.07 g/mol. IUPAC: 3-methylsulfanyl-5-[4-(2-phenylethoxy)phenyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-
Property Insights of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-
The XLogP value of 5.1 indicates that 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- has 0 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 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-?
The CAS number of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- is 498560-84-2.
What is the molecular formula of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-?
The molecular formula of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- is C19H16N2OS2.
What is the molecular weight of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-?
The molecular weight of 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- is 352.07 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-?
You can request a quote for 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarbonitrile, 3-(methylthio)-5-[4-(2-phenylethoxy)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.