o-Ethyl s-hexadecyl carbonodithioate
TL;DR: o-Ethyl s-hexadecyl carbonodithioate (CAS 68100-26-5) is a chemical compound with molecular formula C19H38OS2 and molecular weight 346.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl hexadecylsulfanylmethanethioate
Also Known As: o-ethyl s-hexadecyl carbonodithioate, O-Ethyl-S-hexadecyldithiocarbonat, O-ethyl hexadecylsulfanylmethanethioate, ETHOXY(HEXADECYLSULFANYL)METHANETHIONE, Dithiocarbonic acid O-ethyl S-hexadecyl ester
| Molecular Formula | C19H38OS2 |
|---|---|
| Molecular Weight | 346.24 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 346.23642 |
| Heavy Atoms | 22 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 68100-26-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC(=S)OCC |
| InChIKey | QABFRTIGCAXJSB-UHFFFAOYSA-N |
Product Overview
o-Ethyl s-hexadecyl carbonodithioate (CAS 68100-26-5), with molecular formula C19H38OS2 and molecular weight 346.24 g/mol. IUPAC: O-ethyl hexadecylsulfanylmethanethioate.
Chemical Property Profile of o-Ethyl s-hexadecyl carbonodithioate
Property Insights of o-Ethyl s-hexadecyl carbonodithioate
The XLogP value of 9.8 indicates that o-Ethyl s-hexadecyl 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 o-Ethyl s-hexadecyl carbonodithioate. Following Lipinski's Rule of Five, o-Ethyl s-hexadecyl 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 o-Ethyl s-hexadecyl carbonodithioate?
The CAS number of o-Ethyl s-hexadecyl carbonodithioate is 68100-26-5.
What is the molecular formula of o-Ethyl s-hexadecyl carbonodithioate?
The molecular formula of o-Ethyl s-hexadecyl carbonodithioate is C19H38OS2.
What is the molecular weight of o-Ethyl s-hexadecyl carbonodithioate?
The molecular weight of o-Ethyl s-hexadecyl carbonodithioate is 346.24 g/mol.
Where can I buy o-Ethyl s-hexadecyl carbonodithioate?
You can request a quote for o-Ethyl s-hexadecyl carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Ethyl s-hexadecyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl s-hexadecyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.