(4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate
TL;DR: (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate (CAS 765263-60-3) is a chemical compound with molecular formula C9H12N6O2S and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate
Also Known As: (4-nitrophenyl)methyl (2E)-N,2-diamino-2-hydrazinylideneethanimidothioate
| Molecular Formula | C9H12N6O2S |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 0.3311 |
| Topological Polar Surface Area | 145.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07425 |
| Heavy Atoms | 18 |
| Complexity | 484.33615 |
Chemical Identifiers
| CAS Number | 765263-60-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=NN)C(=NN)N)[N+](=O)[O-] |
Product Overview
(4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate (CAS 765263-60-3), with molecular formula C9H12N6O2S and molecular weight 268.07 g/mol. IUPAC: (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate.
Chemical Property Profile of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate
Property Insights of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate
The XLogP value of 0.3311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate. The TPSA of 145.92 Ų indicates high polarity, suggesting (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate 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
Frequently Asked Questions
What is the CAS number of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate?
The CAS number of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate is 765263-60-3.
What is the molecular formula of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate?
The molecular formula of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate is C9H12N6O2S.
What is the molecular weight of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate?
The molecular weight of (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate is 268.07 g/mol.
Where can I buy (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate?
You can request a quote for (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)methyl N,2-diamino-2-hydrazinylideneethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.