S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate
TL;DR: S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate (CAS 89816-81-9) is a chemical compound with molecular formula C11H14OS2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (2,4-dimethylphenyl)sulfanylmethanethioate
Also Known As: S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate, O-ethyl (2,4-dimethylphenyl)sulfanylmethanethioate, S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate #, Carbonodithioic acid, S-(2,4-dimethylphenyl) O-ethyl ester, Dithiocarbonic acid, S-(2,4-dimethylphenyl)-O-ethyl diester
| Molecular Formula | C11H14OS2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04861 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 89816-81-9 |
|---|---|
| SMILES | CCOC(=S)SC1=C(C=C(C=C1)C)C |
| InChIKey | GWSZZZOYVRYRLX-UHFFFAOYSA-N |
Product Overview
S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate (CAS 89816-81-9), with molecular formula C11H14OS2 and molecular weight 226.05 g/mol. IUPAC: O-ethyl (2,4-dimethylphenyl)sulfanylmethanethioate.
Chemical Property Profile of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate
Property Insights of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate
The XLogP value of 4.3 indicates that S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate 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-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate. Following Lipinski's Rule of Five, S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate has 0 hydrogen bond donor(s) and 3 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-Dimethylphenyl) o-ethyl dithiocarbonate?
The CAS number of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate is 89816-81-9.
What is the molecular formula of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate?
The molecular formula of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate is C11H14OS2.
What is the molecular weight of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate?
The molecular weight of S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate is 226.05 g/mol.
Where can I buy S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate?
You can request a quote for S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate 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-Dimethylphenyl) o-ethyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4-Dimethylphenyl) o-ethyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.