(2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide
TL;DR: (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide (CAS 68029-44-7) is a chemical compound with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide
Also Known As: 2-cyano-3-(2,6-dichlorophenyl)-2-propenethioamide, 2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide, (E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide, (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide, (2E)-2-(aminothioxomethyl)-3-(2,6-dichlorophenyl)prop-2-enenitrile
| Molecular Formula | C10H6Cl2N2S |
|---|---|
| Molecular Weight | 255.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.96288 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 68029-44-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C(\C#N)/C(=S)N)Cl |
| InChIKey | POIWBZKZTPCEJR-GQCTYLIASA-N |
Product Overview
(2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide (CAS 68029-44-7), with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol. IUPAC: (E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide.
Chemical Property Profile of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide
Property Insights of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide
The XLogP value of 3.0 indicates that (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-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
Frequently Asked Questions
What is the CAS number of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide?
The CAS number of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide is 68029-44-7.
What is the molecular formula of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide?
The molecular formula of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide is C10H6Cl2N2S.
What is the molecular weight of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide?
The molecular weight of (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide is 255.96 g/mol.
Where can I buy (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide?
You can request a quote for (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.