4-Chlorobenzaldehyde thiosemicarbazone
TL;DR: 4-Chlorobenzaldehyde thiosemicarbazone (CAS 674779-07-8) is a chemical compound with molecular formula C8H8ClN3S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-chlorophenyl)methylideneamino]thiourea
Also Known As: Maybridge1_008673, 4-chlorobenzaldehyde thiosemicarbazone, AURORA 782, 2-(4-chlorobenzylidene)hydrazine-1-carbothioamide, p-Chlorobenzaldehyde 3-thiosemicarbazone
| Molecular Formula | C8H8ClN3S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01274 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 674779-07-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=S)N)Cl |
| InChIKey | FABQYDLGFZXBIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzaldehyde thiosemicarbazone (CAS 674779-07-8), with molecular formula C8H8ClN3S and molecular weight 213.01 g/mol. IUPAC: [(4-chlorophenyl)methylideneamino]thiourea.
Chemical Property Profile of 4-Chlorobenzaldehyde thiosemicarbazone
Property Insights of 4-Chlorobenzaldehyde thiosemicarbazone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzaldehyde thiosemicarbazone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 4-Chlorobenzaldehyde thiosemicarbazone has 2 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 4-Chlorobenzaldehyde thiosemicarbazone?
The CAS number of 4-Chlorobenzaldehyde thiosemicarbazone is 674779-07-8.
What is the molecular formula of 4-Chlorobenzaldehyde thiosemicarbazone?
The molecular formula of 4-Chlorobenzaldehyde thiosemicarbazone is C8H8ClN3S.
What is the molecular weight of 4-Chlorobenzaldehyde thiosemicarbazone?
The molecular weight of 4-Chlorobenzaldehyde thiosemicarbazone is 213.01 g/mol.
Where can I buy 4-Chlorobenzaldehyde thiosemicarbazone?
You can request a quote for 4-Chlorobenzaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.