3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide
TL;DR: 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide (CAS 117452-24-1) is a chemical compound with molecular formula C10H7ClN2S and molecular weight 222.00185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide
Also Known As: 3-(o-chlorophenyl)-2-cyanothioacrylamide, 3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide, 2-Propenethioamide, 3-(2-chlorophenyl)-2-cyano-
Technical Specifications
| Molecular Formula | C10H7ClN2S |
| Molecular Weight | 222.00185 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.00185 Da |
| Heavy Atoms | 14 |
| Complexity | 302.0 |
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C(=S)N)Cl |
| InChIKey | RARDDTIUBHMBEB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide
Property Insights of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide?
The CAS number of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide is 117452-24-1.
What is the molecular formula of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide?
The molecular formula of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide is C10H7ClN2S.
What is the molecular weight of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide?
The molecular weight of 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide is 222.00185 g/mol.
Where can I buy 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide?
You can request a quote for 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chlorophenyl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.