s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate
TL;DR: s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate (CAS 51676-65-4) is a chemical compound with molecular formula C9H8N2O5S2 and molecular weight 287.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (2,4-dinitrophenyl)sulfanylmethanethioate
Also Known As: s-(2,4-dinitrophenyl) o-ethyl carbonodithioate, ethyl [(2,4-dinitrophenyl)sulfanyl]methanethioate, O-ethyl (2,4-dinitrophenyl)sulfanylmethanethioate, Dithiocarbonic acid O-ethyl S-(2,4-dinitrophenyl) ester
| Molecular Formula | C9H8N2O5S2 |
|---|---|
| Molecular Weight | 287.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.98746 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 51676-65-4 |
|---|---|
| SMILES | CCOC(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FMFAWKHZVNLCBI-UHFFFAOYSA-N |
Product Overview
s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate (CAS 51676-65-4), with molecular formula C9H8N2O5S2 and molecular weight 287.99 g/mol. IUPAC: O-ethyl (2,4-dinitrophenyl)sulfanylmethanethioate.
Chemical Property Profile of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate
Property Insights of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate
The XLogP value of 3.2 indicates that s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate has 0 hydrogen bond donor(s) and 7 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-Dinitrophenyl) o-ethyl carbonodithioate?
The CAS number of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate is 51676-65-4.
What is the molecular formula of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate?
The molecular formula of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate is C9H8N2O5S2.
What is the molecular weight of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate?
The molecular weight of s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate is 287.99 g/mol.
Where can I buy s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate?
You can request a quote for s-(2,4-Dinitrophenyl) o-ethyl 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-Dinitrophenyl) o-ethyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-(2,4-Dinitrophenyl) o-ethyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.