2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide
TL;DR: 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide (CAS 656223-03-9) is a chemical compound with molecular formula C10H6Cl2N2OS and molecular weight 271.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enethioamide
Also Known As: 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide, 2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enethioamide, (e)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enethioamide
| Molecular Formula | C10H6Cl2N2OS |
|---|---|
| Molecular Weight | 271.96 g/mol |
| LogP | 2.89208 |
| Topological Polar Surface Area | 70.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.9578 |
| Heavy Atoms | 16 |
| Complexity | 520.2857 |
Chemical Identifiers
| CAS Number | 656223-03-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C=C(C#N)C(=S)N)O)Cl)Cl |
Product Overview
2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide (CAS 656223-03-9), with molecular formula C10H6Cl2N2OS and molecular weight 271.96 g/mol. IUPAC: 2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide
Property Insights of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide
The XLogP value of 2.89208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide. The TPSA of 70.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide 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
Frequently Asked Questions
What is the CAS number of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide?
The CAS number of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide is 656223-03-9.
What is the molecular formula of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide?
The molecular formula of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide is C10H6Cl2N2OS.
What is the molecular weight of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide?
The molecular weight of 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide is 271.96 g/mol.
Where can I buy 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide?
You can request a quote for 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,5-dichloro-2-hydroxyphenyl)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.