3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile
TL;DR: 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile (CAS 260409-96-9) is a chemical compound with molecular formula C20H12Br2N2O2S3 and molecular weight 565.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-BIS((2-(4-BROMOPHENYL)-2-OXOETHYL)THIO)-4-ISOTHIAZOLECARBONITRILE, 3,5-di{[2-(4-bromophenyl)-2-oxoethyl]thio}isothiazole-4-carbonitrile, 3,5-bis[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile, 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)isothiazole-4-carbonitrile, 3,5-bis[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C20H12Br2N2O2S3 |
|---|---|
| Molecular Weight | 565.84 g/mol |
| LogP | 6.48978 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 565.8428 |
| Heavy Atoms | 29 |
| Complexity | 995.60095 |
Chemical Identifiers
| CAS Number | 260409-96-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC=C(C=C3)Br)C#N)Br |
Product Overview
3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile (CAS 260409-96-9), with molecular formula C20H12Br2N2O2S3 and molecular weight 565.84 g/mol. IUPAC: 3,5-bis[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile
Property Insights of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile
The XLogP value of 6.48978 indicates that 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile?
The CAS number of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile is 260409-96-9.
What is the molecular formula of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile?
The molecular formula of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile is C20H12Br2N2O2S3.
What is the molecular weight of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile?
The molecular weight of 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile is 565.84 g/mol.
Where can I buy 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile?
You can request a quote for 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((2-(4-bromophenyl)-2-oxoethyl)thio)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.