4-((Methylsulfanyl)methyl)aniline
TL;DR: 4-((Methylsulfanyl)methyl)aniline (CAS 5438-86-8) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylsulfanylmethyl)aniline
Also Known As: 4-[(methylsulfanyl)methyl]aniline, 4-((Methylthio)methyl)aniline, 4-(methylsulfanylmethyl)aniline, 4-(Methylthiomethyl)aniline, Methyl 4-aminobenzyl sulfide
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 5438-86-8 |
|---|---|
| SMILES | CSCC1=CC=C(C=C1)N |
| InChIKey | VIZLWRXSTIBCDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Methylsulfanyl)methyl)aniline (CAS 5438-86-8), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 4-(methylsulfanylmethyl)aniline.
Chemical Property Profile of 4-((Methylsulfanyl)methyl)aniline
Property Insights of 4-((Methylsulfanyl)methyl)aniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Methylsulfanyl)methyl)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 4-((Methylsulfanyl)methyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Methylsulfanyl)methyl)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
Frequently Asked Questions
What is the CAS number of 4-((Methylsulfanyl)methyl)aniline?
The CAS number of 4-((Methylsulfanyl)methyl)aniline is 5438-86-8.
What is the molecular formula of 4-((Methylsulfanyl)methyl)aniline?
The molecular formula of 4-((Methylsulfanyl)methyl)aniline is C8H11NS.
What is the molecular weight of 4-((Methylsulfanyl)methyl)aniline?
The molecular weight of 4-((Methylsulfanyl)methyl)aniline is 153.06 g/mol.
Where can I buy 4-((Methylsulfanyl)methyl)aniline?
You can request a quote for 4-((Methylsulfanyl)methyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Methylsulfanyl)methyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((Methylsulfanyl)methyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.