o-Hydroxyacetophenone thiosemicarbazone
TL;DR: o-Hydroxyacetophenone thiosemicarbazone (CAS 7441-53-4) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-hydroxyphenyl)ethylideneamino]thiourea
Also Known As: Maybridge1_002655, DivK1c_001407, o-hydroxyacetophenone thiosemicarbazone, CDS1_000367, Hydrazinecarbothioamide, 2-[1-(2-hydroxyphenyl)ethylidene]-, (E)-
| Molecular Formula | C9H11N3OS |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.06229 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 7441-53-4 |
|---|---|
| SMILES | CC(=NNC(=S)N)C1=CC=CC=C1O |
| InChIKey | LXYOGTSBYWAKMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Hydroxyacetophenone thiosemicarbazone (CAS 7441-53-4), with molecular formula C9H11N3OS and molecular weight 209.06 g/mol. IUPAC: [1-(2-hydroxyphenyl)ethylideneamino]thiourea.
Chemical Property Profile of o-Hydroxyacetophenone thiosemicarbazone
Property Insights of o-Hydroxyacetophenone thiosemicarbazone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Hydroxyacetophenone thiosemicarbazone. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Hydroxyacetophenone thiosemicarbazone. Following Lipinski's Rule of Five, o-Hydroxyacetophenone thiosemicarbazone has 3 hydrogen bond donor(s) and 3 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 o-Hydroxyacetophenone thiosemicarbazone?
The CAS number of o-Hydroxyacetophenone thiosemicarbazone is 7441-53-4.
What is the molecular formula of o-Hydroxyacetophenone thiosemicarbazone?
The molecular formula of o-Hydroxyacetophenone thiosemicarbazone is C9H11N3OS.
What is the molecular weight of o-Hydroxyacetophenone thiosemicarbazone?
The molecular weight of o-Hydroxyacetophenone thiosemicarbazone is 209.06 g/mol.
Where can I buy o-Hydroxyacetophenone thiosemicarbazone?
You can request a quote for o-Hydroxyacetophenone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Hydroxyacetophenone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for o-Hydroxyacetophenone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.