![2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide structure](/static/products/828/828273-09-2.png)
2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide
TL;DR: 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide (CAS 828273-09-2) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(2-methylanilino)-3-sulfanylidenepropanamide
Also Known As: 2-Cyano-2-o-tolylthiocarbamoyl-acetamide, 2-cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide, 2-CYANO-3-THIOXO-3-(2-TOLUIDINO)PROPANAMIDE, 2-cyano-3-(2-methylanilino)-3-sulfanylidenepropanamide, 2-CYANO-2-[(2-METHYLPHENYL)CARBAMOTHIOYL]ACETAMIDE
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 1.3594 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 464.54263 |
Chemical Identifiers
| CAS Number | 828273-09-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)C(C#N)C(=O)N |
Product Overview
2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide (CAS 828273-09-2), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 2-cyano-3-(2-methylanilino)-3-sulfanylidenepropanamide.
Chemical Property Profile of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide
Property Insights of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide
The XLogP value of 1.3594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide. Following Lipinski's Rule of Five, 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide 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 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide?
The CAS number of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide is 828273-09-2.
What is the molecular formula of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide?
The molecular formula of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide is C11H11N3OS.
What is the molecular weight of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide?
The molecular weight of 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide is 233.06 g/mol.
Where can I buy 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide?
You can request a quote for 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-[(2-methylphenyl)amino]-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.