2-(2-Carbamothioylhydrazono)propanoic acid
TL;DR: 2-(2-Carbamothioylhydrazono)propanoic acid (CAS 10418-09-4) is a chemical compound with molecular formula C4H7N3O2S and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamothioylhydrazinylidene)propanoic acid
Also Known As: Pyruvic acid thiosemicarbazone, NCIOpen2_000478, Thiosemicarbazone of pyruvic acid, 2-(2-carbamothioylhydrazono)propanoic acid, 2-(carbamothioylhydrazinylidene)propanoic acid
| Molecular Formula | C4H7N3O2S |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | -0.7199 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.0259 |
| Heavy Atoms | 10 |
| Complexity | 188.94173 |
Chemical Identifiers
| CAS Number | 10418-09-4 |
|---|---|
| SMILES | CC(=NNC(=S)N)C(=O)O |
Product Overview
2-(2-Carbamothioylhydrazono)propanoic acid (CAS 10418-09-4), with molecular formula C4H7N3O2S and molecular weight 161.03 g/mol. IUPAC: 2-(carbamothioylhydrazinylidene)propanoic acid.
Chemical Property Profile of 2-(2-Carbamothioylhydrazono)propanoic acid
Property Insights of 2-(2-Carbamothioylhydrazono)propanoic acid
The XLogP value of -0.7199 indicates that 2-(2-Carbamothioylhydrazono)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Carbamothioylhydrazono)propanoic acid. Following Lipinski's Rule of Five, 2-(2-Carbamothioylhydrazono)propanoic 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 2-(2-Carbamothioylhydrazono)propanoic acid?
The CAS number of 2-(2-Carbamothioylhydrazono)propanoic acid is 10418-09-4.
What is the molecular formula of 2-(2-Carbamothioylhydrazono)propanoic acid?
The molecular formula of 2-(2-Carbamothioylhydrazono)propanoic acid is C4H7N3O2S.
What is the molecular weight of 2-(2-Carbamothioylhydrazono)propanoic acid?
The molecular weight of 2-(2-Carbamothioylhydrazono)propanoic acid is 161.03 g/mol.
Where can I buy 2-(2-Carbamothioylhydrazono)propanoic acid?
You can request a quote for 2-(2-Carbamothioylhydrazono)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Carbamothioylhydrazono)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Carbamothioylhydrazono)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.