![4-[(1-methyl-1H-imidazol-2-yl)thio]aniline structure](/static/products/1333/133303-54-5.webp)
4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
TL;DR: 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline (CAS 133303-54-5) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-methylimidazol-2-yl)sulfanylaniline
Also Known As: 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline, 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline, 4-[ THIO]ANILINE, 4-(1-methylimidazol-2-yl)sulfanylaniline, 4-((1-Methyl-1H-imidazol-2-yl)thio)aniline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11N3S |
| Molecular Weight | 205.06737 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 Da |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
| SMILES | CN1C=CN=C1SC2=CC=C(C=C2)N |
| InChIKey | JOFUTRSZJZSTKG-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
Property Insights of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline. Following Lipinski's Rule of Five, 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline?
The CAS number of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline is 133303-54-5.
What is the molecular formula of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline?
The molecular formula of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline is C10H11N3S.
What is the molecular weight of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline?
The molecular weight of 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline is 205.06737 g/mol.
Where can I buy 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline?
You can request a quote for 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline?
Yes, CoreyChem provides custom synthesis services for 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.