(Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide
TL;DR: (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide (CAS 100781-97-3) is a chemical compound with molecular formula C10H8ClN3S and molecular weight 237.01274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide
Also Known As: (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide, (2Z)-3-(2-Chloroanilino)-2-cyanoprop-2-enethioamide, (Z)-3-(2-Chloro-phenylamino)-2-cyano-thioacrylamide, (Z)-3-((2-chlorophenyl)amino)-2-cyanoprop-2-enethioamide, (2Z)-3-[(2-chlorophenyl)amino]-2-cyanoprop-2-enethioamide
Technical Specifications
| Molecular Formula | C10H8ClN3S |
| Molecular Weight | 237.01274 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.01274 Da |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
| SMILES | C1=CC=C(C(=C1)N/C=C(/C#N)\C(=S)N)Cl |
| InChIKey | CCOAPAVWBREFTR-SREVYHEPSA-N |
Chemical Property Profile of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide
Property Insights of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide has 2 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 (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide?
The CAS number of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide is 100781-97-3.
What is the molecular formula of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide?
The molecular formula of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide is C10H8ClN3S.
What is the molecular weight of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide?
The molecular weight of (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide is 237.01274 g/mol.
Where can I buy (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide?
You can request a quote for (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide?
Yes, CoreyChem provides custom synthesis services for (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.