Pyridoxal monothiosemicarbazone
TL;DR: Pyridoxal monothiosemicarbazone (CAS 1190096-01-5) is a chemical compound with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea
Also Known As: Pyridoxal thiosemicarbazone, Pyridoxal monothiosemicarbazone, [[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]met, 3-hydroxy-5-hydroxymethyl-4-formyl-2-picoline thiosemicarbazone, ({[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}amino)thiourea
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | -0.24498 |
| Topological Polar Surface Area | 103.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 433.76233 |
Chemical Identifiers
| CAS Number | 1190096-01-5 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=NNC(=S)N)CO |
Product Overview
Pyridoxal monothiosemicarbazone (CAS 1190096-01-5), with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol. IUPAC: [[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea.
Chemical Property Profile of Pyridoxal monothiosemicarbazone
Property Insights of Pyridoxal monothiosemicarbazone
The XLogP value of -0.24498 indicates that Pyridoxal monothiosemicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxal monothiosemicarbazone. Following Lipinski's Rule of Five, Pyridoxal monothiosemicarbazone has 4 hydrogen bond donor(s) and 5 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 Pyridoxal monothiosemicarbazone?
The CAS number of Pyridoxal monothiosemicarbazone is 1190096-01-5.
What is the molecular formula of Pyridoxal monothiosemicarbazone?
The molecular formula of Pyridoxal monothiosemicarbazone is C9H12N4O2S.
What is the molecular weight of Pyridoxal monothiosemicarbazone?
The molecular weight of Pyridoxal monothiosemicarbazone is 240.07 g/mol.
Where can I buy Pyridoxal monothiosemicarbazone?
You can request a quote for Pyridoxal monothiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxal monothiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxal monothiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.