(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone
TL;DR: (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone (CAS 851863-33-7) is a chemical compound with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3-nitrophenyl)methanone
Also Known As: (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone, 2-(methylsulfanyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-imidazole, (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3-nitrophenyl)methanone, F0630-0049
| Molecular Formula | C11H11N3O3S |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 1.7696 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.05212 |
| Heavy Atoms | 18 |
| Complexity | 530.01965 |
Chemical Identifiers
| CAS Number | 851863-33-7 |
|---|---|
| SMILES | CSC1=NCCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone (CAS 851863-33-7), with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol. IUPAC: (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone
Property Insights of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone
The XLogP value of 1.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone 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 (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone?
The CAS number of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone is 851863-33-7.
What is the molecular formula of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone?
The molecular formula of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone is C11H11N3O3S.
What is the molecular weight of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone?
The molecular weight of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone is 265.05 g/mol.
Where can I buy (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone?
You can request a quote for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.