s-Butyl o-ethyl carbonodithioate
TL;DR: s-Butyl o-ethyl carbonodithioate (CAS 2594-90-3) is a chemical compound with molecular formula C7H14OS2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl butylsulfanylmethanethioate
Also Known As: Butyl xanthogenate, s-butyl o-ethyl carbonodithioate, O-ethyl butylsulfanylmethanethioate, (butylsulfanyl)(ethoxy)methanethione, Dithiocarbonic acid O-ethyl S-butyl ester
| Molecular Formula | C7H14OS2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.04861 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 2594-90-3 |
|---|---|
| SMILES | CCCCSC(=S)OCC |
| InChIKey | CWAHZEUWXSXWGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Butyl o-ethyl carbonodithioate (CAS 2594-90-3), with molecular formula C7H14OS2 and molecular weight 178.05 g/mol. IUPAC: O-ethyl butylsulfanylmethanethioate.
Chemical Property Profile of s-Butyl o-ethyl carbonodithioate
Property Insights of s-Butyl o-ethyl carbonodithioate
The XLogP value of 3.3 indicates that s-Butyl o-ethyl 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-Butyl o-ethyl carbonodithioate. Following Lipinski's Rule of Five, s-Butyl o-ethyl carbonodithioate 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-Butyl o-ethyl carbonodithioate?
The CAS number of s-Butyl o-ethyl carbonodithioate is 2594-90-3.
What is the molecular formula of s-Butyl o-ethyl carbonodithioate?
The molecular formula of s-Butyl o-ethyl carbonodithioate is C7H14OS2.
What is the molecular weight of s-Butyl o-ethyl carbonodithioate?
The molecular weight of s-Butyl o-ethyl carbonodithioate is 178.05 g/mol.
Where can I buy s-Butyl o-ethyl carbonodithioate?
You can request a quote for s-Butyl 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-Butyl o-ethyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-Butyl o-ethyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.