![S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate structure](/static/products/745/7451-59-4.png)
S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate
TL;DR: S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate (CAS 7451-59-4) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(3-methylanilino)-2-oxoethyl] carbamothioate
Also Known As: BIM-0007795.P001, S-(2-oxo-2-(m-tolylamino)ethyl) carbamothioate, S-[2-(3-methylanilino)-2-oxoethyl] carbamothioate, S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.74542 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 379.44006 |
Chemical Identifiers
| CAS Number | 7451-59-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC(=O)N |
Product Overview
S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate (CAS 7451-59-4), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: S-[2-(3-methylanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate
Property Insights of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate
The XLogP value of 1.74542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate. Following Lipinski's Rule of Five, S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate has 2 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 S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate?
The CAS number of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate is 7451-59-4.
What is the molecular formula of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate?
The molecular formula of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate is C10H12N2O2S.
What is the molecular weight of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate?
The molecular weight of S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate is 224.06 g/mol.
Where can I buy S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate?
You can request a quote for S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-{2-[(3-methylphenyl)amino]-2-oxoethyl} thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.