Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester
TL;DR: Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester (CAS 6302-78-9) is a chemical compound with molecular formula C16H15ClOS2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(4-chlorophenyl)methyl] (3-methylphenyl)methylsulfanylmethanethioate
Also Known As: Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester, o-(4-chlorobenzyl) s-(3-methylbenzyl) carbonodithioate, (4-chlorophenyl)methoxy-[(3-methylphenyl)methylsulfanyl]methanethione, O-[(4-chlorophenyl)methyl] (3-methylphenyl)methylsulfanylmethanethioate, O-[(4-Chlorophenyl)methyl] S-[(3-methylphenyl)methyl] carbonodithioate
| Molecular Formula | C16H15ClOS2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.0253 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6302-78-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC(=S)OCC2=CC=C(C=C2)Cl |
| InChIKey | CQRQGQMBEGQDPL-UHFFFAOYSA-N |
Product Overview
Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester (CAS 6302-78-9), with molecular formula C16H15ClOS2 and molecular weight 322.03 g/mol. IUPAC: O-[(4-chlorophenyl)methyl] (3-methylphenyl)methylsulfanylmethanethioate.
Chemical Property Profile of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester
Property Insights of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester
The XLogP value of 5.6 indicates that Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester 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 Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester. Following Lipinski's Rule of Five, Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester 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 Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester?
The CAS number of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester is 6302-78-9.
What is the molecular formula of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester?
The molecular formula of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester is C16H15ClOS2.
What is the molecular weight of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester?
The molecular weight of Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester is 322.03 g/mol.
Where can I buy Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester?
You can request a quote for Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) 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-(m-methylbenzyl) O-(p-chlorobenzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, dithio-, S-(m-methylbenzyl) O-(p-chlorobenzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.