![s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate structure](/static/products/1872/187235-47-8.webp)
s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate
TL;DR: s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate (CAS 187235-47-8) is a chemical compound with molecular formula C14H17BrO2S2 and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(3-methylbutyl) [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
Also Known As: s-[2-(4-bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate, O-(3-methylbutyl) [2-(4-bromophenyl)-2-oxoethyl]sulfanylmeth, O-(3-methylbutyl) [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
| Molecular Formula | C14H17BrO2S2 |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.98532 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 187235-47-8 |
|---|---|
| SMILES | CC(C)CCOC(=S)SCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | NDNZECQSJYPMKO-UHFFFAOYSA-N |
Product Overview
s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate (CAS 187235-47-8), with molecular formula C14H17BrO2S2 and molecular weight 359.99 g/mol. IUPAC: O-(3-methylbutyl) [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate
Property Insights of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate
The XLogP value of 5.4 indicates that s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate. Following Lipinski's Rule of Five, s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate?
The CAS number of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate is 187235-47-8.
What is the molecular formula of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate?
The molecular formula of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate is C14H17BrO2S2.
What is the molecular weight of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate?
The molecular weight of s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate is 359.99 g/mol.
Where can I buy s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate?
You can request a quote for s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-[2-(4-Bromophenyl)-2-oxoethyl] o-(3-methylbutyl) carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.