2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide
TL;DR: 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide (CAS 109628-96-8) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.03607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-pyridin-3-ylprop-2-enethioamide
Also Known As: 2-cyano-3-(pyridin-3-yl)prop-2-enethioamide, 2-Cyano-3-pyridin-3-yl-thioacrylamide, 2-cyano-3-pyridin-3-ylprop-2-enethioamide, (Z)-2-cyano-3-pyridin-3-ylprop-2-enethioamide, 2-cyano-3-(3-pyridyl)prop-2-enimidothioic acid
Technical Specifications
| Molecular Formula | C9H7N3S |
| Molecular Weight | 189.03607 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.03607 Da |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
| SMILES | C1=CC(=CN=C1)C=C(C#N)C(=S)N |
| InChIKey | PNSDADFWVJVLIG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide
Property Insights of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide has 1 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-Cyano-3-(pyridin-3-yl)prop-2-enethioamide?
The CAS number of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide is 109628-96-8.
What is the molecular formula of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide?
The molecular formula of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide is C9H7N3S.
What is the molecular weight of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide?
The molecular weight of 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide is 189.03607 g/mol.
Where can I buy 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide?
You can request a quote for 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-3-(pyridin-3-yl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.