2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-
TL;DR: 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- (CAS 93440-31-4) 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.
2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
Also Known As: 2-cyano-3-(4-nitrophenyl)prop-2-enethioamide, 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-, 4-nitrophenylmethylene cyanothioacetamide
| Molecular Formula | C10H7N3O2S |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 1.78788 |
| Topological Polar Surface Area | 92.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0259 |
| Heavy Atoms | 16 |
| Complexity | 499.7906 |
Chemical Identifiers
| CAS Number | 93440-31-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=S)N)[N+](=O)[O-] |
Product Overview
2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- (CAS 93440-31-4), with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol. IUPAC: 2-cyano-3-(4-nitrophenyl)prop-2-enethioamide.
Chemical Property Profile of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-
Property Insights of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-
The XLogP value of 1.78788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-. The TPSA of 92.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- 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 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-?
The CAS number of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- is 93440-31-4.
What is the molecular formula of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-?
The molecular formula of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- is C10H7N3O2S.
What is the molecular weight of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-?
The molecular weight of 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- is 233.03 g/mol.
Where can I buy 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-?
You can request a quote for 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.