1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone
TL;DR: 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone (CAS 4739-21-3) is a chemical compound with molecular formula C15H16O2S3 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone
Also Known As: Carbonotrithioic acid der., 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone, Carbonotrithioic acid,1-dimethylethyl ester, 2-(1-Benzofuran-2-yl)-2-oxoethyl tert-butyl carbonotrithioate, 2-(1-Benzofuran-2-yl)-2-oxoethyl tert-butyl trithiocarbonate
| Molecular Formula | C15H16O2S3 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.03125 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4739-21-3 |
|---|---|
| SMILES | CC(C)(C)SC(=S)SCC(=O)C1=CC2=CC=CC=C2O1 |
| InChIKey | WVGMXLNMSGSEFY-UHFFFAOYSA-N |
Product Overview
1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone (CAS 4739-21-3), with molecular formula C15H16O2S3 and molecular weight 324.03 g/mol. IUPAC: 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone.
Chemical Property Profile of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone
Property Insights of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone
The XLogP value of 5.3 indicates that 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone. Following Lipinski's Rule of Five, 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone?
The CAS number of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone is 4739-21-3.
What is the molecular formula of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone?
The molecular formula of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone is C15H16O2S3.
What is the molecular weight of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone?
The molecular weight of 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone is 324.03 g/mol.
Where can I buy 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone?
You can request a quote for 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzofuran-2-yl)-2-tert-butylsulfanylcarbothioylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.