(3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate
TL;DR: (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate (CAS 63521-71-1) is a chemical compound with molecular formula C20H21NOS2 and molecular weight 355.10645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate
Also Known As: 3-Oxo-1,3-diphenyl-1-propenyl diethylcarbamodithioate, 1,3-Diphenyl-1-(N,N-diethyldithiocarbamoyl)-1-propen-3-one, Diethylcarbamodithioic acid 3-oxo-1,3-diphenyl-1-propenyl ester, CARBAMODITHIOIC ACID, DIETHYL-, 3-OXO-1,3-DIPHENYL-1-PROPENYL ESTER, N,N-DIETHYL-1-[(E)-3-OXO-1,3-DIPHENYL-PROP-1-ENYL]SULFANYL-METHANETHIOAMIDE
Technical Specifications
| Molecular Formula | C20H21NOS2 |
| Molecular Weight | 355.10645 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.10645 Da |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
| SMILES | CCN(CC)C(=S)SC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | ITERTJGIJHHXOU-UHFFFAOYSA-N |
Chemical Property Profile of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate
Property Insights of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate
The XLogP value of 5.1 indicates that (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate?
The CAS number of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate is 63521-71-1.
What is the molecular formula of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate?
The molecular formula of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate is C20H21NOS2.
What is the molecular weight of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate?
The molecular weight of (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate is 355.10645 g/mol.
Where can I buy (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate?
You can request a quote for (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate?
Yes, CoreyChem provides custom synthesis services for (3-oxo-1,3-diphenylprop-1-enyl) N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.