![1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one structure](/static/products/124/124623-12-7.webp)
1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one
TL;DR: 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one (CAS 124623-12-7) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-amino-4-methylsulfanylphenyl)propan-1-one
Also Known As: 1-[2-AMINO-4-(METHYLSULFANYL)PHENYL]PROPAN-1-ONE, 1-(2-amino-4-methylsulfanyl-phenyl)propan-1-one
Technical Specifications
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.0718 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)SC)N |
| InChIKey | CCLNQAKUUPMSEK-UHFFFAOYSA-N |
Chemical Property Profile of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one
Property Insights of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one. Following Lipinski's Rule of Five, 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one 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 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one?
The CAS number of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one is 124623-12-7.
What is the molecular formula of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one?
The molecular formula of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one is C10H13NOS.
What is the molecular weight of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one?
The molecular weight of 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one is 195.0718 g/mol.
Where can I buy 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one?
You can request a quote for 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-[2-Amino-4-(methylsulfanyl)phenyl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.