Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate
TL;DR: Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate (CAS 132605-18-6) is a chemical compound with molecular formula C20H18N2O2S2 and molecular weight 382.08096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate, Thiophene-3-carboxylic acid, 4-phenyl-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester, ethyl 4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate, ETHYL 4-PHENYL-2-[(PHENYLCARBAMOTHIOYL)AMINO]THIOPHENE-3-CARBOXYLATE, 2-(3-Phenylthioureido)-4-phenylthiophene-3-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C20H18N2O2S2 |
| Molecular Weight | 382.08096 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.08096 Da |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3 |
| InChIKey | AVEVZUAJDAZECY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate
Property Insights of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate
The XLogP value of 5.5 indicates that Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate has 2 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 Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate?
The CAS number of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate is 132605-18-6.
What is the molecular formula of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate is C20H18N2O2S2.
What is the molecular weight of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate is 382.08096 g/mol.
Where can I buy Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-phenyl-2-(((phenylamino)thioxomethyl)amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.