![carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester structure](/static/products/5947/5947-53-5.webp)
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
TL;DR: carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester (CAS 5947-53-5) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate
Also Known As: o-Acetanisidide, carbamate, S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate, 2-Mercapto-o-acetanisidide, carbamate, carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester, NCI60_000861
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 5947-53-5 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC(=O)N |
| InChIKey | WZDOMPZYPBKCOE-UHFFFAOYSA-N |
Product Overview
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester (CAS 5947-53-5), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
Property Insights of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester. Following Lipinski's Rule of Five, carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] 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 carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester?
The CAS number of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester is 5947-53-5.
What is the molecular formula of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester?
The molecular formula of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester is C10H12N2O3S.
What is the molecular weight of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester?
The molecular weight of carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester is 240.06 g/mol.
Where can I buy carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester?
You can request a quote for carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.