(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone
TL;DR: (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone (CAS 851863-04-2) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
Also Known As: F0630-0010, (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone, (3-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.16982 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 442.39984 |
Chemical Identifiers
| CAS Number | 851863-04-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN=C2SC |
Product Overview
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone (CAS 851863-04-2), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: (3-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
Chemical Property Profile of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone
Property Insights of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone
The XLogP value of 2.16982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone. With a topological polar surface area (TPSA) of 32.67 Ų, (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone 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 (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone?
The CAS number of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone is 851863-04-2.
What is the molecular formula of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone?
The molecular formula of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone is C12H14N2OS.
What is the molecular weight of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone?
The molecular weight of (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone is 234.08 g/mol.
Where can I buy (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone?
You can request a quote for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)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)(m-tolyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(m-tolyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.