4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid
TL;DR: 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid (CAS 122-92-9) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(carbamothioylhydrazinylidene)methyl]benzoic acid
Also Known As: 4-Carboxy-benzaldehyd-thiosemicarbazon, 4-carboxylbenzaldehyde thiosemicarbazone, 4-[(carbamothioylhydrazinylidene)methyl]benzoic Acid, 4-[(2-Carbamothioylhydrazinylidene)methyl]benzoic acid, 4-[[2-(Aminothioxomethyl)hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 0.5519 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 400.32343 |
Chemical Identifiers
| CAS Number | 122-92-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=S)N)C(=O)O |
Product Overview
4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid (CAS 122-92-9), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: 4-[(carbamothioylhydrazinylidene)methyl]benzoic acid.
Chemical Property Profile of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid
Property Insights of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid
The XLogP value of 0.5519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid 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 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid?
The CAS number of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid is 122-92-9.
What is the molecular formula of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid?
The molecular formula of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid is C9H9N3O2S.
What is the molecular weight of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid?
The molecular weight of 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid is 223.04 g/mol.
Where can I buy 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid?
You can request a quote for 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(Aminothioxomethyl)hydrazinylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.