Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
TL;DR: Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester (CAS 312924-77-9) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(4-ethoxyanilino)-2-oxoethyl] carbamothioate
Also Known As: BAS 00436508, S-[2-(4-ethoxyanilino)-2-oxoethyl] carbamothioate, 2-carbamoylthio-N-(4-ethoxyphenyl)acetamide, S-[2-[(4-Ethoxyphenyl)amino]-2-oxoethyl] carbamothioate, Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 312924-77-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC(=O)N |
| InChIKey | XYBKQXFWDFDLAQ-UHFFFAOYSA-N |
Product Overview
Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester (CAS 312924-77-9), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: S-[2-(4-ethoxyanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
Property Insights of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester. Following Lipinski's Rule of Five, Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester has 2 hydrogen bond donor(s) and 4 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 Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester?
The CAS number of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester is 312924-77-9.
What is the molecular formula of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester?
The molecular formula of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester is C11H14N2O3S.
What is the molecular weight of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester?
The molecular weight of Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester is 254.07 g/mol.
Where can I buy Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester?
You can request a quote for Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocarbamic acid (4-ethoxy-phenylcarbamoyl)-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.