![2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- structure](/static/products/1007/100781-95-1.webp)
2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-
TL;DR: 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- (CAS 100781-95-1) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(4-methylanilino)prop-2-enethioamide
Also Known As: 2-cyano-3-(4-methylanilino)prop-2-enethioamide, 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-, 2-cyano-3-[(4-methylphenyl)amino]prop-2-enethioamide
Technical Specifications
| Molecular Formula | C11H11N3S |
| Molecular Weight | 217.06737 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 Da |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
| SMILES | CC1=CC=C(C=C1)NC=C(C#N)C(=S)N |
| InChIKey | QHCOCEDNLWJZAW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-
Property Insights of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-. Following Lipinski's Rule of Five, 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- 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
What is the CAS number of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-?
The CAS number of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- is 100781-95-1.
What is the molecular formula of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-?
The molecular formula of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- is C11H11N3S.
What is the molecular weight of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-?
The molecular weight of 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- is 217.06737 g/mol.
Where can I buy 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-?
You can request a quote for 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]-?
Yes, CoreyChem provides custom synthesis services for 2-Propenethioamide, 2-cyano-3-[(4-methylphenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.