Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride
TL;DR: Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride (CAS 130623-21-1) is a chemical compound with molecular formula C12H14ClN3O4S and molecular weight 331.03937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitrophenyl)ethanone;hydrochloride
Also Known As: Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride, Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-1-(4-methoxy-3-nitrophenyl)-, monohydrochloride, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitrophenyl)ethanone hydrochloride, 2-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethan-1-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C12H14ClN3O4S |
| Molecular Weight | 331.03937 g/mol |
| XLogP | 1.9003 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.03937 Da |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl |
| InChIKey | HHPJDZVLTSIIQE-UHFFFAOYSA-N |
Chemical Property Profile of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride
Property Insights of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride
The XLogP value of 1.9003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride. Following Lipinski's Rule of Five, Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride?
The CAS number of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride is 130623-21-1.
What is the molecular formula of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride?
The molecular formula of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride is C12H14ClN3O4S.
What is the molecular weight of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride?
The molecular weight of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride is 331.03937 g/mol.
Where can I buy Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride?
You can request a quote for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-3'-nitro-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.