![s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate structure](/static/products/1872/187235-44-5.webp)
s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate
TL;DR: s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate (CAS 187235-44-5) is a chemical compound with molecular formula C10H9BrO2S2 and molecular weight 303.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
Also Known As: s-[2-(4-bromophenyl)-2-oxoethyl] o-methyl carbonodithioate, O-methyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioat, O-methyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
| Molecular Formula | C10H9BrO2S2 |
|---|---|
| Molecular Weight | 303.92 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.92273 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 187235-44-5 |
|---|---|
| SMILES | COC(=S)SCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | ADVFQVLWHJNXEO-UHFFFAOYSA-N |
Product Overview
s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate (CAS 187235-44-5), with molecular formula C10H9BrO2S2 and molecular weight 303.92 g/mol. IUPAC: O-methyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate
Property Insights of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate
The XLogP value of 3.8 indicates that s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl 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-methyl carbonodithioate. Following Lipinski's Rule of Five, s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate?
The CAS number of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate is 187235-44-5.
What is the molecular formula of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate?
The molecular formula of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate is C10H9BrO2S2.
What is the molecular weight of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate?
The molecular weight of s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate is 303.92 g/mol.
Where can I buy s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate?
You can request a quote for s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl 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-methyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-[2-(4-Bromophenyl)-2-oxoethyl] o-methyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.