Vanillin thiosemicarbazone
TL;DR: Vanillin thiosemicarbazone (CAS 5351-92-8) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
Also Known As: vanillin thiosemicarbazone, 4-HYDROXY-3-METHOXYBENZALDEHYDE THIOSEMICARBAZONE, [[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]am, 2-[(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazine-1-carboximidothioic acid
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 5351-92-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NNC(=S)N)O |
| InChIKey | FJQYXPHDGKUTQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillin thiosemicarbazone (CAS 5351-92-8), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: [(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of Vanillin thiosemicarbazone
Property Insights of Vanillin thiosemicarbazone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillin thiosemicarbazone. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillin thiosemicarbazone. Following Lipinski's Rule of Five, Vanillin thiosemicarbazone has 3 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 Vanillin thiosemicarbazone?
The CAS number of Vanillin thiosemicarbazone is 5351-92-8.
What is the molecular formula of Vanillin thiosemicarbazone?
The molecular formula of Vanillin thiosemicarbazone is C9H11N3O2S.
What is the molecular weight of Vanillin thiosemicarbazone?
The molecular weight of Vanillin thiosemicarbazone is 225.06 g/mol.
Where can I buy Vanillin thiosemicarbazone?
You can request a quote for Vanillin thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillin thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Vanillin thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.