![3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid structure](/static/products/1110/1110776-90-3.webp)
3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid
TL;DR: 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid (CAS 1110776-90-3) is a chemical compound with molecular formula C12H11N5O3S and molecular weight 305.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)diazenyl]benzoic acid
Also Known As: 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid, 3-[(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)diazenyl]benzoic acid, 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid, 3-[(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl)azo]benzoic acid, 3-{2-[1-(aminocarbonothioyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoic acid
Technical Specifications
| Molecular Formula | C12H11N5O3S |
| Molecular Weight | 305.05826 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.05826 Da |
| Heavy Atoms | 21 |
| Complexity | 545.0 |
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=CC(=C2)C(=O)O |
| InChIKey | JZPXZBOGZGPAMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid
Property Insights of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid?
The CAS number of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid is 1110776-90-3.
What is the molecular formula of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid?
The molecular formula of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid is C12H11N5O3S.
What is the molecular weight of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid?
The molecular weight of 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid is 305.05826 g/mol.
Where can I buy 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid?
You can request a quote for 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.