3-(甲硫基)-N-苯基苯胺
TL;DR: 3-(甲硫基)-N-苯基苯胺 (CAS 13313-45-6) is a chemical compound with molecular formula C13H13NS and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(甲硫基)-N-苯基苯胺
3-methylsulfanyl-N-phenylaniline
Also Known As: 3-(Methylthio)-N-phenylaniline, 3-(Methylthio)diphenylamine, 3-methylsulfanyl-N-phenylaniline, 3-(methylsulfanyl)-n-phenylaniline, 3-(Methylthio)phenylaniline
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 13313-45-6 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC2=CC=CC=C2 |
| InChIKey | NGTRZJDYCCOXBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(甲硫基)-N-苯基苯胺 (CAS 13313-45-6), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 3-methylsulfanyl-N-phenylaniline.
Chemical Property Profile of 3-(甲硫基)-N-苯基苯胺
Property Insights of 3-(甲硫基)-N-苯基苯胺
The XLogP value of 4.0 indicates that 3-(甲硫基)-N-苯基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(甲硫基)-N-苯基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(甲硫基)-N-苯基苯胺 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 3-(甲硫基)-N-苯基苯胺?
The CAS number of 3-(甲硫基)-N-苯基苯胺 is 13313-45-6.
What is the molecular formula of 3-(甲硫基)-N-苯基苯胺?
The molecular formula of 3-(甲硫基)-N-苯基苯胺 is C13H13NS.
What is the molecular weight of 3-(甲硫基)-N-苯基苯胺?
The molecular weight of 3-(甲硫基)-N-苯基苯胺 is 215.08 g/mol.
Where can I buy 3-(甲硫基)-N-苯基苯胺?
You can request a quote for 3-(甲硫基)-N-苯基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(甲硫基)-N-苯基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-(甲硫基)-N-苯基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.