3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole structure

3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

TL;DR: 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole (CAS 573946-74-4) is a chemical compound with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Also Known As: 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole, 3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 4-allyl-3-(furan-2-yl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole, 5-(2-furyl)-4-prop-2-enyl-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-tria zole, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

CAS: 573946-74-4
Molecular Formula C17H14F3N3OS
Molecular Weight 365.08 g/mol
LogP 5.0352
Topological Polar Surface Area 43.85 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 365.08096
Heavy Atoms 25
Complexity 856.4028

Chemical Identifiers

CAS Number 573946-74-4
SMILES C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3

Product Overview

3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole (CAS 573946-74-4), with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol. IUPAC: 3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

XLogP
5.0352
TPSA (Topological Polar Surface Area)
43.85
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
25
Complexity
856.4028
Exact Mass
365.08096
Monoisotopic Mass
365.08096
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

The XLogP value of 5.0352 indicates that 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?

The CAS number of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is 573946-74-4.

What is the molecular formula of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?

The molecular formula of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is C17H14F3N3OS.

What is the molecular weight of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?

The molecular weight of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is 365.08 g/mol.

Where can I buy 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?

You can request a quote for 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?

Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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