2-Cyano-3-(4-fluorophenyl)-2-propenethioamide
TL;DR: 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide (CAS 132252-86-9) is a chemical compound with molecular formula C10H7FN2S and molecular weight 206.0314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide
Also Known As: 2-cyano-3-(4-fluorophenyl)-2-propenethioamide, (E)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide, AF-399/32977006, 2-Propenethioamide, 2-cyano-3-(4-fluorophenyl)-, (E)-
Technical Specifications
| Molecular Formula | C10H7FN2S |
| Molecular Weight | 206.0314 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0314 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=S)N)F |
| InChIKey | TXTBVZMAVKCLRA-VMPITWQZSA-N |
Product Description
Applications: 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Cyano-3-(4-fluorophenyl)-2-propenethioamide (CAS 132252-86-9) is a fine chemical with the molecular formula C10H7FN2S and a molecular weight of 206.03 g/mol. Synonyms include 2-cyano-3-(4-fluorophenyl)-2-propenethioamide and (E)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide
Property Insights of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide 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-(4-fluorophenyl)-2-propenethioamide?
The CAS number of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide is 132252-86-9.
What is the molecular formula of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide?
The molecular formula of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide is C10H7FN2S.
What is the molecular weight of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide?
The molecular weight of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide is 206.0314 g/mol.
What are the applications of 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide?
2-Cyano-3-(4-fluorophenyl)-2-propenethioamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide?
You can request a quote for 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-3-(4-fluorophenyl)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.