1-(4-Nitrophenyl)imidazoline-2-thione
TL;DR: 1-(4-Nitrophenyl)imidazoline-2-thione (CAS 402-08-4) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1H-imidazole-2-thione
Also Known As: 1-(4-nitrophenyl)-1H-imidazole-2-thiol, 1-(4-Nitrophenyl)imidazoline-2-thione, 3-(4-nitrophenyl)-1H-imidazole-2-thione, 1-(4-nitrophenyl)imidazole-2-thiol, 2-Chloro-5-(trifluoromethyl)anisole
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.44309 |
| Topological Polar Surface Area | 63.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 540.98517 |
Chemical Identifiers
| CAS Number | 402-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CNC2=S)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)imidazoline-2-thione (CAS 402-08-4), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 3-(4-nitrophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-(4-Nitrophenyl)imidazoline-2-thione
Property Insights of 1-(4-Nitrophenyl)imidazoline-2-thione
The XLogP value of 2.44309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)imidazoline-2-thione. The TPSA of 63.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)imidazoline-2-thione. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)imidazoline-2-thione has 1 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 1-(4-Nitrophenyl)imidazoline-2-thione?
The CAS number of 1-(4-Nitrophenyl)imidazoline-2-thione is 402-08-4.
What is the molecular formula of 1-(4-Nitrophenyl)imidazoline-2-thione?
The molecular formula of 1-(4-Nitrophenyl)imidazoline-2-thione is C9H7N3O2S.
What is the molecular weight of 1-(4-Nitrophenyl)imidazoline-2-thione?
The molecular weight of 1-(4-Nitrophenyl)imidazoline-2-thione is 221.03 g/mol.
Where can I buy 1-(4-Nitrophenyl)imidazoline-2-thione?
You can request a quote for 1-(4-Nitrophenyl)imidazoline-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)imidazoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)imidazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.