![4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine structure](/static/products/7289/728918-96-5.webp)
4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine
TL;DR: 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine (CAS 728918-96-5) is a chemical compound with molecular formula C13H13NS and molecular weight 215.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylsulfanylphenyl)aniline
Also Known As: 3-(4-methylsulfanylphenyl)aniline, 4'-(methylsulfanyl)[1,1'-biphenyl]-3-amine, 4'-(Methylthio)-[1,1'-biphenyl]-3-amine, 4'-Methylsulfanyl-biphenyl-3-ylamine, 4'-(Methylthio)[1,1'-biphenyl]-3-amine
Technical Specifications
| Molecular Formula | C13H13NS |
| Molecular Weight | 215.07687 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.07687 Da |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
| SMILES | CSC1=CC=C(C=C1)C2=CC(=CC=C2)N |
| InChIKey | CCIYYICNCOTNNV-UHFFFAOYSA-N |
Chemical Property Profile of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine
Property Insights of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine
The XLogP value of 3.4 indicates that 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine has 1 hydrogen bond donor(s) and 2 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'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine?
The CAS number of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine is 728918-96-5.
What is the molecular formula of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine?
The molecular formula of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine is C13H13NS.
What is the molecular weight of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine?
The molecular weight of 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine is 215.07687 g/mol.
Where can I buy 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine?
You can request a quote for 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine?
Yes, CoreyChem provides custom synthesis services for 4'-(Methylsulfanyl)[1,1'-biphenyl]-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.