s-Decyl o-ethyl carbonodithioate
TL;DR: s-Decyl o-ethyl carbonodithioate (CAS 2594-89-0) is a chemical compound with molecular formula C13H26OS2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl decylsulfanylmethanethioate
Also Known As: s-decyl o-ethyl carbonodithioate, O-ethyl decylsulfanylmethanethioate
| Molecular Formula | C13H26OS2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 262.14252 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 2594-89-0 |
|---|---|
| SMILES | CCCCCCCCCCSC(=S)OCC |
| InChIKey | OUYIFKJXWWJZPP-UHFFFAOYSA-N |
Product Overview
s-Decyl o-ethyl carbonodithioate (CAS 2594-89-0), with molecular formula C13H26OS2 and molecular weight 262.14 g/mol. IUPAC: O-ethyl decylsulfanylmethanethioate.
Chemical Property Profile of s-Decyl o-ethyl carbonodithioate
Property Insights of s-Decyl o-ethyl carbonodithioate
The XLogP value of 6.5 indicates that s-Decyl 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-Decyl o-ethyl carbonodithioate. Following Lipinski's Rule of Five, s-Decyl o-ethyl carbonodithioate 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 s-Decyl o-ethyl carbonodithioate?
The CAS number of s-Decyl o-ethyl carbonodithioate is 2594-89-0.
What is the molecular formula of s-Decyl o-ethyl carbonodithioate?
The molecular formula of s-Decyl o-ethyl carbonodithioate is C13H26OS2.
What is the molecular weight of s-Decyl o-ethyl carbonodithioate?
The molecular weight of s-Decyl o-ethyl carbonodithioate is 262.14 g/mol.
Where can I buy s-Decyl o-ethyl carbonodithioate?
You can request a quote for s-Decyl 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-Decyl o-ethyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-Decyl o-ethyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.