delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- structure

delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-

TL;DR: delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- (CAS 33863-70-6) is a chemical compound with molecular formula C20H13BrN4O2S and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

4-(4-bromophenyl)-N-(4-nitrophenyl)-3-phenyl-1,2,4-thiadiazol-5-imine

Also Known As: 4-5-[imino]-3-phenyl-4,5-dihydro-1,2,4-thiadiazole, 4- -5-[ imino]-3-phenyl-4,5-dihydro-1,2,4-thiadiazole, .delta.2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-, 4-(4-bromophenyl)-N-(4-nitrophenyl)-3-phenyl-1,2,4-thiadiazol-5-imine, 4-(4-bromophenyl)-N-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1,2,4-thiadiazol-5-imine

CAS: 33863-70-6
Molecular Formula C20H13BrN4O2S
Molecular Weight 451.99 g/mol
LogP 5.7
Topological Polar Surface Area 99.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 451.99426
Heavy Atoms 28
Complexity 616.0

Chemical Identifiers

CAS Number 33863-70-6
SMILES C1=CC=C(C=C1)C2=NSC(=NC3=CC=C(C=C3)[N+](=O)[O-])N2C4=CC=C(C=C4)Br
InChIKey XFTBCUPHJIINKB-UHFFFAOYSA-N

Product Overview

delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- (CAS 33863-70-6), with molecular formula C20H13BrN4O2S and molecular weight 451.99 g/mol. IUPAC: 4-(4-bromophenyl)-N-(4-nitrophenyl)-3-phenyl-1,2,4-thiadiazol-5-imine.

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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 delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-

XLogP
5.7
TPSA (Topological Polar Surface Area)
99.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
28
Complexity
616.0
Exact Mass
451.99426
Monoisotopic Mass
451.99426
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 delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-

The XLogP value of 5.7 indicates that delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-. Following Lipinski's Rule of Five, delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- has 0 hydrogen bond donor(s) and 5 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 delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-?

The CAS number of delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- is 33863-70-6.

What is the molecular formula of delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-?

The molecular formula of delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- is C20H13BrN4O2S.

What is the molecular weight of delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-?

The molecular weight of delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- is 451.99 g/mol.

Where can I buy delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-?

You can request a quote for delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl-?

Yes, KEHONG BIO provides custom synthesis services for delta2-1,2,4-Thiadiazoline, 4-(p-bromophenyl)-5-[(p-nitrophenyl)imino]-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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