2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide
TL;DR: 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide (CAS 146618-32-8) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4-oxochromen-3-yl)methylideneamino]thiourea
Also Known As: chromone-3-carboxaldehyde thiosemicarbazone, [(4-oxochromen-3-yl)methylideneamino]thiourea, 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C11H9N3O2S |
| Molecular Weight | 247.04155 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04155 Da |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=S)N |
| InChIKey | YQOMHBIWKFONOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide
Property Insights of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide. Following Lipinski's Rule of Five, 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide?
The CAS number of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide is 146618-32-8.
What is the molecular formula of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide?
The molecular formula of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide is C11H9N3O2S.
What is the molecular weight of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide?
The molecular weight of 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide is 247.04155 g/mol.
Where can I buy 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide?
You can request a quote for 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-Oxo-4H-chromen-3-yl)methylene)hydrazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.