2-isonicotinoyl-N-phenylhydrazinecarbothioamide
TL;DR: 2-isonicotinoyl-N-phenylhydrazinecarbothioamide (CAS 6954-50-3) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(pyridine-4-carbonylamino)thiourea
Also Known As: 2-isonicotinoyl-N-phenylhydrazinecarbothioamide, 1-phenyl-3-(pyridine-4-carbonylamino)thiourea, 1-Phenyl-4-isonicotinoylthiosemicarbazide, 4-Phenyl-1-isonicotinoylthiosemicarbazide, BAS 00380025
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 6954-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2 |
| InChIKey | GDEQICJHJBGISZ-UHFFFAOYSA-N |
Product Overview
2-isonicotinoyl-N-phenylhydrazinecarbothioamide (CAS 6954-50-3), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 1-phenyl-3-(pyridine-4-carbonylamino)thiourea.
Chemical Property Profile of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide
Property Insights of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-isonicotinoyl-N-phenylhydrazinecarbothioamide. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-isonicotinoyl-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-isonicotinoyl-N-phenylhydrazinecarbothioamide 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-isonicotinoyl-N-phenylhydrazinecarbothioamide?
The CAS number of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide is 6954-50-3.
What is the molecular formula of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide?
The molecular formula of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide is C13H12N4OS.
What is the molecular weight of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide?
The molecular weight of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide is 272.07 g/mol.
Where can I buy 2-isonicotinoyl-N-phenylhydrazinecarbothioamide?
You can request a quote for 2-isonicotinoyl-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-isonicotinoyl-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-isonicotinoyl-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.