2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide
TL;DR: 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide (CAS 152436-61-8) is a chemical compound with molecular formula C8H5N3O3S and molecular weight 223.00516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enethioamide
Also Known As: 2-cyano-3-{5-nitro-2-furyl}-2-propenethioamide, AE-848/34435023, (E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enethioamide, 2-Propenethioamide, 2-cyano-3-(5-nitro-2-furanyl)-, (E)- (9CI)
Technical Specifications
| Molecular Formula | C8H5N3O3S |
| Molecular Weight | 223.00516 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.00516 Da |
| Heavy Atoms | 15 |
| Complexity | 365.0 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=S)N |
| InChIKey | PJSNNEGTLWYONY-HWKANZROSA-N |
Chemical Property Profile of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide
Property Insights of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide has 1 hydrogen bond donor(s) and 5 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-{5-nitro-2-furyl}-2-propenethioamide?
The CAS number of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide is 152436-61-8.
What is the molecular formula of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide?
The molecular formula of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide is C8H5N3O3S.
What is the molecular weight of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide?
The molecular weight of 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide is 223.00516 g/mol.
Where can I buy 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide?
You can request a quote for 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-3-{5-nitro-2-furyl}-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.