3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
TL;DR: 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione (CAS 97814-15-8) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
Also Known As: 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione, 1-(2-methoxyphenyl)-4-(4-nitrophenyl)-1,3-dihydro-2H-imidazole-2-thione, 1-(2-methoxyphenyl)-4-(4-nitrophenyl)-1h-imidazole-2-thiol, 1-(2-methoxyphenyl)-4-(4-nitrophenyl)-1H-imidazole-2(3H)-thione, 1-(2-Methoxy-phenyl)-4-(4-nitro-phenyl)-1,3-dihydro-imidazole-2-thione
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 97814-15-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C=C(NC2=S)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CMTMTLVIGYPLGJ-UHFFFAOYSA-N |
Product Overview
3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione (CAS 97814-15-8), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
Property Insights of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione. Following Lipinski's Rule of Five, 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione has 1 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 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione?
The CAS number of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione is 97814-15-8.
What is the molecular formula of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione?
The molecular formula of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione is C16H13N3O3S.
What is the molecular weight of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione?
The molecular weight of 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione is 327.07 g/mol.
Where can I buy 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione?
You can request a quote for 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.