Ethyl 2-phenylthiocarbamoylacetate
TL;DR: Ethyl 2-phenylthiocarbamoylacetate (CAS 10374-68-2) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-anilino-3-sulfanylidenepropanoate
Also Known As: ethyl 3-anilino-3-thioxopropanoate, TOS-BB-0122, ethyl 2-phenylthiocarbamoylacetate, ethyl 2-phenylthiocarbamoyl acetate, ethyl 3-anilino-3-sulfanylidenepropanoate
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.3791 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 337.701 |
Chemical Identifiers
| CAS Number | 10374-68-2 |
|---|---|
| SMILES | CCOC(=O)CC(=S)NC1=CC=CC=C1 |
Product Overview
Ethyl 2-phenylthiocarbamoylacetate (CAS 10374-68-2), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: ethyl 3-anilino-3-sulfanylidenepropanoate.
Chemical Property Profile of Ethyl 2-phenylthiocarbamoylacetate
Property Insights of Ethyl 2-phenylthiocarbamoylacetate
The XLogP value of 2.3791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-phenylthiocarbamoylacetate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 2-phenylthiocarbamoylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-phenylthiocarbamoylacetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-phenylthiocarbamoylacetate?
The CAS number of Ethyl 2-phenylthiocarbamoylacetate is 10374-68-2.
What is the molecular formula of Ethyl 2-phenylthiocarbamoylacetate?
The molecular formula of Ethyl 2-phenylthiocarbamoylacetate is C11H13NO2S.
What is the molecular weight of Ethyl 2-phenylthiocarbamoylacetate?
The molecular weight of Ethyl 2-phenylthiocarbamoylacetate is 223.07 g/mol.
Where can I buy Ethyl 2-phenylthiocarbamoylacetate?
You can request a quote for Ethyl 2-phenylthiocarbamoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-phenylthiocarbamoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-phenylthiocarbamoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.