Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate
TL;DR: Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate (CAS 13037-08-6) is a chemical compound with molecular formula C11H12ClNO2S2 and molecular weight 288.9998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate
Also Known As: USAF T-8, Acetic acid, ethyl ester, ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate, Carbethoxymethyl p-chlorophenyldithiocarbamate, Carbamic acid, ethoxycarbonylmethyl ester
Technical Specifications
| Molecular Formula | C11H12ClNO2S2 |
| Molecular Weight | 288.9998 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.9998 Da |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
| SMILES | CCOC(=O)CSC(=S)NC1=CC=C(C=C1)Cl |
| InChIKey | QDBQKKKIBHKLLB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate
Property Insights of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate
The XLogP value of 3.6 indicates that Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate?
The CAS number of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate is 13037-08-6.
What is the molecular formula of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate?
The molecular formula of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate is C11H12ClNO2S2.
What is the molecular weight of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate?
The molecular weight of Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate is 288.9998 g/mol.
Where can I buy Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate?
You can request a quote for Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-((((4-chlorophenyl)amino)thioxomethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.