2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide
TL;DR: 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide (CAS 117080-28-1) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-3-(pyridine-4-carbonylamino)thiourea
Also Known As: N-{[(4-nitrophenyl)carbamothioyl]amino}pyridine-4-carboxamide, 1-(4-nitrophenyl)-3-(pyridine-4-carbonylamino)thiourea, 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide, 1-isonicotinoyl-4-(4-nitrophenyl)-3-thiosemicarbazide, 2-Isonicotinoyl-N-(4-nitrophenyl)hydrazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C13H11N5O3S |
| Molecular Weight | 317.05826 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.05826 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | C1=CC(=CC=C1NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-] |
| InChIKey | VBCDRHBVTYSPEW-UHFFFAOYSA-N |
Chemical Property Profile of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide
Property Insights of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide has 3 hydrogen bond donor(s) and 5 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-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide?
The CAS number of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide is 117080-28-1.
What is the molecular formula of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide?
The molecular formula of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide is C13H11N5O3S.
What is the molecular weight of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide?
The molecular weight of 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide is 317.05826 g/mol.
Where can I buy 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide?
You can request a quote for 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide?
Yes, CoreyChem provides custom synthesis services for 2-isonicotinoyl-N-(4-nitrophenyl)-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.