(E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
TL;DR: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide (CAS 68029-55-0) is a chemical compound with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
Also Known As: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide, (2E)-2-CYANO-3-(4-NITROPHENYL)PROP-2-ENETHIOAMIDE, 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-, (E)-, (2E)-2-(aminothioxomethyl)-3-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C10H7N3O2S |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0259 |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 68029-55-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=S)N)[N+](=O)[O-] |
| InChIKey | ZJUPLUDEWMWRRF-VMPITWQZSA-N |
Product Overview
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide (CAS 68029-55-0), with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol. IUPAC: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide.
Chemical Property Profile of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
Property Insights of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide has 1 hydrogen bond donor(s) and 4 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)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide is 68029-55-0.
What is the molecular formula of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide is C10H7N3O2S.
What is the molecular weight of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide is 233.03 g/mol.
Where can I buy (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-(4-nitrophenyl)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 (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(4-nitrophenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.