![phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone structure](/static/products/381/381177-41-9.png)
phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
TL;DR: phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CAS 381177-41-9) is a chemical compound with molecular formula C15H9N3OS2 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone
Also Known As: phenyl(2-thioxobenzo[4,5]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl)methanone, phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone, phenyl-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone
| Molecular Formula | C15H9N3OS2 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 3.76849 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.0187 |
| Heavy Atoms | 21 |
| Complexity | 1027.3795 |
Chemical Identifiers
| CAS Number | 381177-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C4=CC=CC=C4S3 |
Product Overview
phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CAS 381177-41-9), with molecular formula C15H9N3OS2 and molecular weight 311.02 g/mol. IUPAC: phenyl-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone.
Chemical Property Profile of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
Property Insights of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
The XLogP value of 3.76849 indicates that phenyl(2-thioxo[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. With a topological polar surface area (TPSA) of 39.3 Ų, phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone has 0 hydrogen bond donor(s) and 4 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 phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The CAS number of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is 381177-41-9.
What is the molecular formula of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The molecular formula of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is C15H9N3OS2.
What is the molecular weight of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
The molecular weight of phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone is 311.02 g/mol.
Where can I buy phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
You can request a quote for phenyl(2-thioxo[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 phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for phenyl(2-thioxo[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.