3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate
TL;DR: 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate (CAS 102732-64-9) is a chemical compound with molecular formula C18H19NOS3 and molecular weight 361.06287 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-diethylcarbamodithioate
Also Known As: 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate, CARBAMODITHIOIC ACID, DIETHYL-, 3-OXO-1-PHENYL-3-(2-THIENYL)-1-PROPENYL ESTER
Technical Specifications
| Molecular Formula | C18H19NOS3 |
| Molecular Weight | 361.06287 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.06287 Da |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
| SMILES | CCN(CC)C(=S)SC(=CC(=O)C1=CC=CS1)C2=CC=CC=C2 |
| InChIKey | UHKPNOIVGJGYRC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate
Property Insights of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate
The XLogP value of 5.1 indicates that 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate 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-yl)prop-1-en-1-yl diethylcarbamodithioate. Following Lipinski's Rule of Five, 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate 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-yl)prop-1-en-1-yl diethylcarbamodithioate?
The CAS number of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate is 102732-64-9.
What is the molecular formula of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate?
The molecular formula of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate is C18H19NOS3.
What is the molecular weight of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate?
The molecular weight of 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate is 361.06287 g/mol.
Where can I buy 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate?
You can request a quote for 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate 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-yl)prop-1-en-1-yl diethylcarbamodithioate?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-1-phenyl-3-(thiophen-2-yl)prop-1-en-1-yl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.