2-Cyano-3-pyridin-3-yl-thioacrylamide
TL;DR: 2-Cyano-3-pyridin-3-yl-thioacrylamide (CAS 132252-85-8) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide
Also Known As: 2-Cyano-3-pyridin-3-yl-thioacrylamide, (E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide, (2e)-2-cyano-3-pyridin-3-ylprop-2-enethioamide, 2-cyano-3-(pyridin-3-yl)prop-2-enethioamide, (E)-2-cyano-3-(3-pyridyl)prop-2-enethioamide
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 132252-85-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C(\C#N)/C(=S)N |
| InChIKey | PNSDADFWVJVLIG-XBXARRHUSA-N |
Product Overview
2-Cyano-3-pyridin-3-yl-thioacrylamide (CAS 132252-85-8), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: (E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-pyridin-3-yl-thioacrylamide
Property Insights of 2-Cyano-3-pyridin-3-yl-thioacrylamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-pyridin-3-yl-thioacrylamide. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-pyridin-3-yl-thioacrylamide. Following Lipinski's Rule of Five, 2-Cyano-3-pyridin-3-yl-thioacrylamide 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
Frequently Asked Questions
What is the CAS number of 2-Cyano-3-pyridin-3-yl-thioacrylamide?
The CAS number of 2-Cyano-3-pyridin-3-yl-thioacrylamide is 132252-85-8.
What is the molecular formula of 2-Cyano-3-pyridin-3-yl-thioacrylamide?
The molecular formula of 2-Cyano-3-pyridin-3-yl-thioacrylamide is C9H7N3S.
What is the molecular weight of 2-Cyano-3-pyridin-3-yl-thioacrylamide?
The molecular weight of 2-Cyano-3-pyridin-3-yl-thioacrylamide is 189.04 g/mol.
Where can I buy 2-Cyano-3-pyridin-3-yl-thioacrylamide?
You can request a quote for 2-Cyano-3-pyridin-3-yl-thioacrylamide 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-pyridin-3-yl-thioacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-pyridin-3-yl-thioacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.