1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one
TL;DR: 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one (CAS 70529-84-9) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methylimidazol-2-yl)sulfanylpropan-2-one
Also Known As: 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one, 1-(1-methylimidazol-2-ylthio)acetone, 1-(1-methylimidazol-2-yl)sulfanylpropan-2-one, 1-[(1-methyl-1h-imidazol-2-yl)thio]acetone, 1-[(1-methyl-1h-imidazol-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 70529-84-9 |
|---|---|
| SMILES | CC(=O)CSC1=NC=CN1C |
| InChIKey | LRYXRPWMVIINTM-UHFFFAOYSA-N |
Product Overview
1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one (CAS 70529-84-9), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 1-(1-methylimidazol-2-yl)sulfanylpropan-2-one.
Chemical Property Profile of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one
Property Insights of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one. Following Lipinski's Rule of Five, 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one has 0 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-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one?
The CAS number of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one is 70529-84-9.
What is the molecular formula of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one?
The molecular formula of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one is C7H10N2OS.
What is the molecular weight of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one?
The molecular weight of 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one is 170.05 g/mol.
Where can I buy 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one?
You can request a quote for 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((1-Methyl-1H-imidazol-2-yl)thio)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.