(1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide
TL;DR: (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide (CAS 130641-04-2) is a chemical compound with molecular formula C9H7N5O2S and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide
Also Known As: (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide, 2-Cyano-2-[(4-nitro-phenyl)-hydrazono]-thioacetamide, (2E)-Cyano[2-(4-nitrophenyl)hydrazinylidene]ethanethioamide, (2E)-2-cyano-2-[2-(4-nitrophenyl)hydrazinylidene]ethanethioamide, (E)-2-amino-N'-(4-nitrophenyl)-2-thioxoacetohydrazonoyl cyanide
| Molecular Formula | C9H7N5O2S |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 1.17238 |
| Topological Polar Surface Area | 117.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.03204 |
| Heavy Atoms | 17 |
| Complexity | 517.1829 |
Chemical Identifiers
| CAS Number | 130641-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N/N=C(\C#N)/C(=S)N)[N+](=O)[O-] |
Product Overview
(1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide (CAS 130641-04-2), with molecular formula C9H7N5O2S and molecular weight 249.03 g/mol. IUPAC: (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide.
Chemical Property Profile of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide
Property Insights of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide
The XLogP value of 1.17238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide. The TPSA of 117.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide. Following Lipinski's Rule of Five, (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide has 2 hydrogen bond donor(s) and 6 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 (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide?
The CAS number of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide is 130641-04-2.
What is the molecular formula of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide?
The molecular formula of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide is C9H7N5O2S.
What is the molecular weight of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide?
The molecular weight of (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide is 249.03 g/mol.
Where can I buy (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide?
You can request a quote for (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for (1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.