N-(Methylsulfanylmethyl)aniline
TL;DR: N-(Methylsulfanylmethyl)aniline (CAS 98499-59-3) 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.
N-(methylsulfanylmethyl)aniline
Also Known As: N-(methylsulfanylmethyl)aniline, N-(Metiltiometil)anilina, N-((Methylthio)methyl)aniline, ANILINE, N-((METHYLTHIO)METHYL)-, N-(methylthio)methylaniline
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 98499-59-3 |
|---|---|
| SMILES | CSCNC1=CC=CC=C1 |
| InChIKey | AVTORQFIRUDRMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Methylsulfanylmethyl)aniline (CAS 98499-59-3), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: N-(methylsulfanylmethyl)aniline.
Chemical Property Profile of N-(Methylsulfanylmethyl)aniline
Property Insights of N-(Methylsulfanylmethyl)aniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Methylsulfanylmethyl)aniline. With a topological polar surface area (TPSA) of 37.3 Ų, N-(Methylsulfanylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Methylsulfanylmethyl)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 N-(Methylsulfanylmethyl)aniline?
The CAS number of N-(Methylsulfanylmethyl)aniline is 98499-59-3.
What is the molecular formula of N-(Methylsulfanylmethyl)aniline?
The molecular formula of N-(Methylsulfanylmethyl)aniline is C8H11NS.
What is the molecular weight of N-(Methylsulfanylmethyl)aniline?
The molecular weight of N-(Methylsulfanylmethyl)aniline is 153.06 g/mol.
Where can I buy N-(Methylsulfanylmethyl)aniline?
You can request a quote for N-(Methylsulfanylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Methylsulfanylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(Methylsulfanylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.