O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate
TL;DR: O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate (CAS 15367-50-7) is a chemical compound with molecular formula C18H28O2S2 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate
Also Known As: O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate, S-3,5-di(tert-butyl)-4-hydroxybenzyl-O-ethylxanthate, O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmeth, S-(3,5-di-tert-butyl-4-hydroxybenzyl) O-ethyl carbonodithioate, S-3,5-di-tert-butyl-4-hydroxybenzyl O-ethyl carbonodithioate
| Molecular Formula | C18H28O2S2 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.15308 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 15367-50-7 |
|---|---|
| SMILES | CCOC(=S)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | OJILBRJTCQPLCP-UHFFFAOYSA-N |
Product Overview
O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate (CAS 15367-50-7), with molecular formula C18H28O2S2 and molecular weight 340.15 g/mol. IUPAC: O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate.
Chemical Property Profile of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate
Property Insights of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate
The XLogP value of 6.5 indicates that O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate. Following Lipinski's Rule of Five, O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate has 1 hydrogen bond donor(s) and 4 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 (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate?
The CAS number of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate is 15367-50-7.
What is the molecular formula of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate?
The molecular formula of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate is C18H28O2S2.
What is the molecular weight of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate?
The molecular weight of O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate is 340.15 g/mol.
Where can I buy O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate?
You can request a quote for O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.