(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide
TL;DR: (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide (CAS 68029-53-8) is a chemical compound with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide
Also Known As: 4-Chloro-alpha-cyanocinnamthioamide, alpha-Cyano-4-chlorocinnamthioamide, (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide, (E)-2-Cyano-3-(4-chlorophenyl)acrylthiamide, J1.045.879J
| Molecular Formula | C10H7ClN2S |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 2.53308 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.00185 |
| Heavy Atoms | 14 |
| Complexity | 414.7433 |
Chemical Identifiers
| CAS Number | 68029-53-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=S)N)Cl |
Product Overview
(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide (CAS 68029-53-8), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide
Property Insights of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide
The XLogP value of 2.53308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide. With a topological polar surface area (TPSA) of 49.81 Ų, (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-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
Frequently Asked Questions
What is the CAS number of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide?
The CAS number of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide is 68029-53-8.
What is the molecular formula of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide?
The molecular formula of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide is C10H7ClN2S.
What is the molecular weight of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide?
The molecular weight of (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide is 222.00 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide?
You can request a quote for (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.