N-(2-nitro-4-isothiocyanophenyl)imidazole
TL;DR: N-(2-nitro-4-isothiocyanophenyl)imidazole (CAS 130482-32-5) is a chemical compound with molecular formula C10H6N4O2S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-isothiocyanato-2-nitrophenyl)imidazole
Also Known As: NIPI, N-(2-Nitro-4-isothiocyanophenyl)imidazole, 1-(4-isothiocyanato-2-nitrophenyl)imidazole, 1-(4-Isothiocyanato-2-nitrophenyl)-1H-imidazole, N-(2-nitro-4-isothiocyanophenyl)-imidazole
| Molecular Formula | C10H6N4O2S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.02115 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 130482-32-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])N2C=CN=C2 |
| InChIKey | GFXQUCWFEPCALC-UHFFFAOYSA-N |
Product Overview
N-(2-nitro-4-isothiocyanophenyl)imidazole (CAS 130482-32-5), with molecular formula C10H6N4O2S and molecular weight 246.02 g/mol. IUPAC: 1-(4-isothiocyanato-2-nitrophenyl)imidazole.
Chemical Property Profile of N-(2-nitro-4-isothiocyanophenyl)imidazole
Property Insights of N-(2-nitro-4-isothiocyanophenyl)imidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-nitro-4-isothiocyanophenyl)imidazole. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-nitro-4-isothiocyanophenyl)imidazole. Following Lipinski's Rule of Five, N-(2-nitro-4-isothiocyanophenyl)imidazole has 0 hydrogen bond donor(s) and 5 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 N-(2-nitro-4-isothiocyanophenyl)imidazole?
The CAS number of N-(2-nitro-4-isothiocyanophenyl)imidazole is 130482-32-5.
What is the molecular formula of N-(2-nitro-4-isothiocyanophenyl)imidazole?
The molecular formula of N-(2-nitro-4-isothiocyanophenyl)imidazole is C10H6N4O2S.
What is the molecular weight of N-(2-nitro-4-isothiocyanophenyl)imidazole?
The molecular weight of N-(2-nitro-4-isothiocyanophenyl)imidazole is 246.02 g/mol.
Where can I buy N-(2-nitro-4-isothiocyanophenyl)imidazole?
You can request a quote for N-(2-nitro-4-isothiocyanophenyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-nitro-4-isothiocyanophenyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for N-(2-nitro-4-isothiocyanophenyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.