![2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole structure](/static/products/1731/17315-18-3.webp)
2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
TL;DR: 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole (CAS 17315-18-3) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
Also Known As: 2-(4-Nitrobenzylthio)imidazoline, 2(p-nitrobenzyl-thio)-imidazoline, 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole, 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole, 2-[(4-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
| Molecular Formula | C10H11N3O2S |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0572 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 17315-18-3 |
|---|---|
| SMILES | C1CN=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HLDWQAGDITYLRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole (CAS 17315-18-3), with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
Property Insights of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole. Following Lipinski's Rule of Five, 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole 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 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole?
The CAS number of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole is 17315-18-3.
What is the molecular formula of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole?
The molecular formula of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole is C10H11N3O2S.
What is the molecular weight of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole?
The molecular weight of 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole is 237.06 g/mol.
Where can I buy 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole?
You can request a quote for 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.