Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester
TL;DR: Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester (CAS 2845-61-6) is a chemical compound with molecular formula C15H14OS3 and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylsulfanylphenyl) benzylsulfanylmethanethioate
Also Known As: s-benzyl o-[4-(methylsulfanyl)phenyl] carbonodithioate, Benzylsulfanyl-(4-methylsulfanylphenoxy)methanethione, Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester, O-(4-methylsulfanylphenyl) benzylsulfanylmethanethioate
| Molecular Formula | C15H14OS3 |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0207 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2845-61-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OC(=S)SCC2=CC=CC=C2 |
| InChIKey | CZBDTIBBVLLISW-UHFFFAOYSA-N |
Product Overview
Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester (CAS 2845-61-6), with molecular formula C15H14OS3 and molecular weight 306.02 g/mol. IUPAC: O-(4-methylsulfanylphenyl) benzylsulfanylmethanethioate.
Chemical Property Profile of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester
Property Insights of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester
The XLogP value of 5.2 indicates that Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester. Following Lipinski's Rule of Five, Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester 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 Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester?
The CAS number of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester is 2845-61-6.
What is the molecular formula of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester?
The molecular formula of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester is C15H14OS3.
What is the molecular weight of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester?
The molecular weight of Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester is 306.02 g/mol.
Where can I buy Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester?
You can request a quote for Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, dithio-, S-benzyl O-(p-(methylthio)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.