![1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone structure](/static/products/4008/400864-12-2.webp)
1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
TL;DR: 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (CAS 400864-12-2) is a chemical compound with molecular formula C18H12Br2N2O2S3 and molecular weight 541.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone, 2,2'-((1,2,4-Thiadiazole-3,5-diyl)bis(sulfanediyl))bis(1-(4-bromophenyl)ethanone), 1-(4-Bromophenyl)-2-((3-((2-(4-bromophenyl)-2-oxoethyl)sulfanyl)-1,2,4-thiadiazol-5-YL)sulfanyl)ethanone, 1-(4-BROMOPHENYL)-2-[(3-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-1,2,4-THIADIAZOL-5-YL)SULFANYL]-1-ETHANONE, 1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C18H12Br2N2O2S3 |
|---|---|
| Molecular Weight | 541.84 g/mol |
| LogP | 6.0131 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.8428 |
| Heavy Atoms | 27 |
| Complexity | 868.0004 |
Chemical Identifiers
| CAS Number | 400864-12-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Br)Br |
Product Overview
1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (CAS 400864-12-2), with molecular formula C18H12Br2N2O2S3 and molecular weight 541.84 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
Property Insights of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
The XLogP value of 6.0131 indicates that 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone 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 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The CAS number of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is 400864-12-2.
What is the molecular formula of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is C18H12Br2N2O2S3.
What is the molecular weight of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is 541.84 g/mol.
Where can I buy 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
You can request a quote for 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-[(3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.