2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone
TL;DR: 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone (CAS 301809-33-6) is a chemical compound with molecular formula C14H11ClN4O2S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylthiourea
Also Known As: 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone, AN-329/40826157, 1-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylthiourea, (2E)-2-(2-chloro-5-nitrobenzylidene)-N-phenylhydrazinecarbothioamide
| Molecular Formula | C14H11ClN4O2S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.5687 |
| Topological Polar Surface Area | 79.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0291 |
| Heavy Atoms | 22 |
| Complexity | 722.0377 |
Chemical Identifiers
| CAS Number | 301809-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone (CAS 301809-33-6), with molecular formula C14H11ClN4O2S and molecular weight 334.03 g/mol. IUPAC: 1-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone
Property Insights of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone
The XLogP value of 3.5687 indicates that 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone. Following Lipinski's Rule of Five, 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone has 2 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-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone?
The CAS number of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone is 301809-33-6.
What is the molecular formula of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone?
The molecular formula of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone is C14H11ClN4O2S.
What is the molecular weight of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone?
The molecular weight of 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone is 334.03 g/mol.
Where can I buy 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone?
You can request a quote for 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-nitrobenzaldehyde N-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.