![2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide structure](/static/products/2161/216169-16-3.webp)
2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide
TL;DR: 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide (CAS 216169-16-3) is a chemical compound with molecular formula C27H23N5OS2 and molecular weight 497.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N,2-diphenylethanethioamide
Also Known As: 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide, J1.012.331C, 2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N,2-diphenylethanethioamide, 2-[5-ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide, N-Phenyl-4-ethoxy-5-[1-phenyl-2-thioxo-2-(phenylamino)ethyl]-7H-1,3,3a-triaza-6-thia-3aH-indene-7-imine
| Molecular Formula | C27H23N5OS2 |
|---|---|
| Molecular Weight | 497.13 g/mol |
| LogP | 5.9933 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1344 |
| Heavy Atoms | 35 |
| Complexity | 1498.9574 |
Chemical Identifiers
| CAS Number | 216169-16-3 |
|---|---|
| SMILES | CCOC1=C(SC(=NC2=CC=CC=C2)C3=NC=NN13)C(C4=CC=CC=C4)C(=S)NC5=CC=CC=C5 |
Product Overview
2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide (CAS 216169-16-3), with molecular formula C27H23N5OS2 and molecular weight 497.13 g/mol. IUPAC: 2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N,2-diphenylethanethioamide.
Chemical Property Profile of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide
Property Insights of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide
The XLogP value of 5.9933 indicates that 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide. Following Lipinski's Rule of Five, 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide?
The CAS number of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide is 216169-16-3.
What is the molecular formula of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide?
The molecular formula of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide is C27H23N5OS2.
What is the molecular weight of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide?
The molecular weight of 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide is 497.13 g/mol.
Where can I buy 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide?
You can request a quote for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N,2-diphenylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.