2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide
TL;DR: 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide (CAS 156632-50-7) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioamide
Also Known As: 2-cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide, 8M-556S, (2Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioamide, (Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioamide, 2-Cyano-3-(3,4-dimethoxy-phenyl)-thioacrylamide
Technical Specifications
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.06195 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 Da |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C(/C#N)\C(=S)N)OC |
| InChIKey | FRUZDUSVCVJDGL-UITAMQMPSA-N |
Chemical Property Profile of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide
Property Insights of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide has 1 hydrogen bond donor(s) and 4 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-(3,4-dimethoxyphenyl)-2-propenethioamide?
The CAS number of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide is 156632-50-7.
What is the molecular formula of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide?
The molecular formula of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide is C12H12N2O2S.
What is the molecular weight of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide?
The molecular weight of 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide is 248.06195 g/mol.
Where can I buy 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide?
You can request a quote for 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.