![(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone structure](/static/products/497/497863-94-2.png)
(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
TL;DR: (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CAS 497863-94-2) is a chemical compound with molecular formula C16H11N3OS2 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone
Also Known As: (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone, (4-methylphenyl)-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone, (2-Thioxo-2H-benzo[4,5]thiazolo[3,2-b][1,2,4]triazol-1-yl)-p-tolyl-methanone, (2-thioxobenzo[4,5]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl)(p-tolyl)methanone, (4-methylphenyl)(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
| Molecular Formula | C16H11N3OS2 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.03436 |
| Heavy Atoms | 22 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 497863-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C4=CC=CC=C4S3 |
| InChIKey | BYHHYJWGZWUAIG-UHFFFAOYSA-N |
Product Overview
(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CAS 497863-94-2), with molecular formula C16H11N3OS2 and molecular weight 325.03 g/mol. IUPAC: (4-methylphenyl)-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone.
Chemical Property Profile of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
Property Insights of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
The XLogP value of 4.1 indicates that (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone. Following Lipinski's Rule of Five, (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone has 0 hydrogen bond donor(s) and 3 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-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The CAS number of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is 497863-94-2.
What is the molecular formula of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The molecular formula of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is C16H11N3OS2.
What is the molecular weight of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The molecular weight of (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is 325.03 g/mol.
Where can I buy (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
You can request a quote for (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.