4-(Phenylthio)aniline
TL;DR: 4-(Phenylthio)aniline (CAS 1135-14-4) is a chemical compound with molecular formula C12H11NS and molecular weight 201.06122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenylsulfanylaniline
Also Known As: 4-(Phenylthio)aniline, 4-(phenylsulfanyl)aniline, 4-phenylsulfanylaniline, 4-aminodiphenylsulfide, Benzenamine, 4-(phenylthio)-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NS |
| Molecular Weight | 201.06122 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.06122 Da |
| Heavy Atoms | 14 |
| Complexity | 158.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)N |
| InChIKey | TZQVSGOOKNNDFU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Phenylthio)aniline
Property Insights of 4-(Phenylthio)aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylthio)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 4-(Phenylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylthio)aniline 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-(Phenylthio)aniline?
The CAS number of 4-(Phenylthio)aniline is 1135-14-4.
What is the molecular formula of 4-(Phenylthio)aniline?
The molecular formula of 4-(Phenylthio)aniline is C12H11NS.
What is the molecular weight of 4-(Phenylthio)aniline?
The molecular weight of 4-(Phenylthio)aniline is 201.06122 g/mol.
Where can I buy 4-(Phenylthio)aniline?
You can request a quote for 4-(Phenylthio)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Phenylthio)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(Phenylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.