1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
TL;DR: 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one (CAS 269083-19-4) is a chemical compound with molecular formula C7H12N2OS and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
Also Known As: ChemDiv3_009271, IDI1_027181, J1.362.754A, VU0421125-2, 1-[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]propan-1-one
| Molecular Formula | C7H12N2OS |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.9576 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06703 |
| Heavy Atoms | 11 |
| Complexity | 190.8796 |
Chemical Identifiers
| CAS Number | 269083-19-4 |
|---|---|
| SMILES | CCC(=O)N1CCN=C1SC |
Product Overview
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one (CAS 269083-19-4), with molecular formula C7H12N2OS and molecular weight 172.07 g/mol. IUPAC: 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one.
Chemical Property Profile of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
Property Insights of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
The XLogP value of 0.9576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-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-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The CAS number of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one is 269083-19-4.
What is the molecular formula of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The molecular formula of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one is C7H12N2OS.
What is the molecular weight of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The molecular weight of 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one is 172.07 g/mol.
Where can I buy 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
You can request a quote for 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.