![4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile structure](/static/products/5142/514202-22-3.webp)
4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile
TL;DR: 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile (CAS 514202-22-3) is a chemical compound with molecular formula C16H10N4S2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile
Also Known As: AB00685789-01, AB00685789-02, 4-((benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)methyl)benzonitrile, F1274-0064, 4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile
| Molecular Formula | C16H10N4S2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0347 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 514202-22-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC4=CC=C(C=C4)C#N)S2 |
| InChIKey | XXYFMIXOSMBPIG-UHFFFAOYSA-N |
Product Overview
4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile (CAS 514202-22-3), with molecular formula C16H10N4S2 and molecular weight 322.03 g/mol. IUPAC: 4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile
Property Insights of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile
The XLogP value of 4.8 indicates that 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile. Following Lipinski's Rule of Five, 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile?
The CAS number of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile is 514202-22-3.
What is the molecular formula of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile?
The molecular formula of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile is C16H10N4S2.
What is the molecular weight of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile?
The molecular weight of 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile is 322.03 g/mol.
Where can I buy 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile?
You can request a quote for 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.