(3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate
TL;DR: (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate (CAS 106128-42-1) is a chemical compound with molecular formula C22H27NOS3 and molecular weight 417.1255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate
Also Known As: Carbamodithioic acid,dibutyl-, 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester (9CI), Dibutylcarbamodithioic acid 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester, CARBAMODITHIOIC ACID, DIBUTYL-, 3-OXO-1-PHENYL-3-(2-THIENYL)-1-PROPENYL ESTER
Technical Specifications
| Molecular Formula | C22H27NOS3 |
| Molecular Weight | 417.1255 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 417.1255 Da |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
| SMILES | CCCCN(CCCC)C(=S)SC(=CC(=O)C1=CC=CS1)C2=CC=CC=C2 |
| InChIKey | ADONIAMNULUWPI-UHFFFAOYSA-N |
Chemical Property Profile of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate
Property Insights of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate
The XLogP value of 6.9 indicates that (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate. Following Lipinski's Rule of Five, (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate?
The CAS number of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate is 106128-42-1.
What is the molecular formula of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate?
The molecular formula of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate is C22H27NOS3.
What is the molecular weight of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate?
The molecular weight of (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate is 417.1255 g/mol.
Where can I buy (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate?
You can request a quote for (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate?
Yes, CoreyChem provides custom synthesis services for (3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl) N,N-dibutylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.