4'-Chloroacetophenone thiosemicarbazone
TL;DR: 4'-Chloroacetophenone thiosemicarbazone (CAS 7651-47-0) is a chemical compound with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)ethylideneamino]thiourea
Also Known As: p-Chloroacetophenone thiosemicarbazone, 4-chloroacetophenone thiosemicarbazone, p-chloroacetophenone thio-semicarbazone, [1-(4-chlorophenyl)ethylideneamino]thiourea, 4'-CHLOROACETOPHENONE THIOSEMICARBAZONE
| Molecular Formula | C9H10ClN3S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0284 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 7651-47-0 |
|---|---|
| SMILES | CC(=NNC(=S)N)C1=CC=C(C=C1)Cl |
| InChIKey | SIGLNNLOFZKOCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloroacetophenone thiosemicarbazone (CAS 7651-47-0), with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol. IUPAC: [1-(4-chlorophenyl)ethylideneamino]thiourea.
Chemical Property Profile of 4'-Chloroacetophenone thiosemicarbazone
Property Insights of 4'-Chloroacetophenone thiosemicarbazone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloroacetophenone thiosemicarbazone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Chloroacetophenone thiosemicarbazone. Following Lipinski's Rule of Five, 4'-Chloroacetophenone 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'-Chloroacetophenone thiosemicarbazone?
The CAS number of 4'-Chloroacetophenone thiosemicarbazone is 7651-47-0.
What is the molecular formula of 4'-Chloroacetophenone thiosemicarbazone?
The molecular formula of 4'-Chloroacetophenone thiosemicarbazone is C9H10ClN3S.
What is the molecular weight of 4'-Chloroacetophenone thiosemicarbazone?
The molecular weight of 4'-Chloroacetophenone thiosemicarbazone is 227.03 g/mol.
Where can I buy 4'-Chloroacetophenone thiosemicarbazone?
You can request a quote for 4'-Chloroacetophenone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloroacetophenone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloroacetophenone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.