s-Benzyl o-(4-bromophenyl) carbonodithioate
TL;DR: s-Benzyl o-(4-bromophenyl) carbonodithioate (CAS 28341-04-0) is a chemical compound with molecular formula C14H11BrOS2 and molecular weight 337.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-bromophenyl) benzylsulfanylmethanethioate
Also Known As: s-benzyl o-(4-bromophenyl) carbonodithioate, Benzylsulfanyl-(4-bromophenoxy)methanethione, O-(4-bromophenyl) benzylsulfanylmethanethioate, Carbonic acid, dithio-, S-benzyl O-(p-bromophenyl) ester
| Molecular Formula | C14H11BrOS2 |
|---|---|
| Molecular Weight | 337.94 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.94348 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 28341-04-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)OC2=CC=C(C=C2)Br |
| InChIKey | SVWKUEQKYMYDNQ-UHFFFAOYSA-N |
Product Overview
s-Benzyl o-(4-bromophenyl) carbonodithioate (CAS 28341-04-0), with molecular formula C14H11BrOS2 and molecular weight 337.94 g/mol. IUPAC: O-(4-bromophenyl) benzylsulfanylmethanethioate.
Chemical Property Profile of s-Benzyl o-(4-bromophenyl) carbonodithioate
Property Insights of s-Benzyl o-(4-bromophenyl) carbonodithioate
The XLogP value of 5.4 indicates that s-Benzyl o-(4-bromophenyl) carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Benzyl o-(4-bromophenyl) carbonodithioate. Following Lipinski's Rule of Five, s-Benzyl o-(4-bromophenyl) carbonodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Benzyl o-(4-bromophenyl) carbonodithioate?
The CAS number of s-Benzyl o-(4-bromophenyl) carbonodithioate is 28341-04-0.
What is the molecular formula of s-Benzyl o-(4-bromophenyl) carbonodithioate?
The molecular formula of s-Benzyl o-(4-bromophenyl) carbonodithioate is C14H11BrOS2.
What is the molecular weight of s-Benzyl o-(4-bromophenyl) carbonodithioate?
The molecular weight of s-Benzyl o-(4-bromophenyl) carbonodithioate is 337.94 g/mol.
Where can I buy s-Benzyl o-(4-bromophenyl) carbonodithioate?
You can request a quote for s-Benzyl o-(4-bromophenyl) carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Benzyl o-(4-bromophenyl) carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-Benzyl o-(4-bromophenyl) carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.