2-(2-Nitrobenzylidene)hydrazinecarbothioamide
TL;DR: 2-(2-Nitrobenzylidene)hydrazinecarbothioamide (CAS 6072-63-5) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-nitrophenyl)methylideneamino]thiourea
Also Known As: [(2-nitrophenyl)methylideneamino]thiourea|2-(2-nitrobenzylidene)hydrazinecarbothioamide|o-nitrobenzaldehyde thiosemicarbazone|Hydrazinecarbothioamide, 2-[(2-nitrophenyl)methylene]-|2-[(2-Nitrophenyl)methylidene]hydrazine-1-carbothioamide|RefChem:250968|DTXCID70300968|JPGHPSUGYJSANW-UHFFFAOYSA-N
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6072-63-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NNC(=S)N)[N+](=O)[O-] |
| InChIKey | JPGHPSUGYJSANW-UHFFFAOYSA-N |
Product Overview
2-(2-Nitrobenzylidene)hydrazinecarbothioamide (CAS 6072-63-5), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: [(2-nitrophenyl)methylideneamino]thiourea.
Chemical Property Profile of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide
Property Insights of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrobenzylidene)hydrazinecarbothioamide. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrobenzylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(2-Nitrobenzylidene)hydrazinecarbothioamide 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
Frequently Asked Questions
What is the CAS number of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide?
The CAS number of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide is 6072-63-5.
What is the molecular formula of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide?
The molecular formula of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide is C8H8N4O2S.
What is the molecular weight of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide?
The molecular weight of 2-(2-Nitrobenzylidene)hydrazinecarbothioamide is 224.04 g/mol.
Where can I buy 2-(2-Nitrobenzylidene)hydrazinecarbothioamide?
You can request a quote for 2-(2-Nitrobenzylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrobenzylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrobenzylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.