2-((4-甲苯基)硫代)苯胺
TL;DR: 2-((4-甲苯基)硫代)苯胺 (CAS 16452-09-8) 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.
2-((4-甲苯基)硫代)苯胺
2-(4-methylphenyl)sulfanylaniline
Also Known As: 2-(p-Tolylthio)aniline, 2-(4-methylphenyl)sulfanylaniline, 2-[(4-methylphenyl)sulfanyl]aniline, Benzenamine, 2-((4-methylphenyl)thio)-, 2NH2Ph-S-4MePh
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 16452-09-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=CC=C2N |
| InChIKey | KGFFMVMQCXIUOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-甲苯基)硫代)苯胺 (CAS 16452-09-8), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylaniline.
Chemical Property Profile of 2-((4-甲苯基)硫代)苯胺
Property Insights of 2-((4-甲苯基)硫代)苯胺
The XLogP value of 3.7 indicates that 2-((4-甲苯基)硫代)苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-((4-甲苯基)硫代)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-甲苯基)硫代)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 2-((4-甲苯基)硫代)苯胺?
The CAS number of 2-((4-甲苯基)硫代)苯胺 is 16452-09-8.
What is the molecular formula of 2-((4-甲苯基)硫代)苯胺?
The molecular formula of 2-((4-甲苯基)硫代)苯胺 is C13H13NS.
What is the molecular weight of 2-((4-甲苯基)硫代)苯胺?
The molecular weight of 2-((4-甲苯基)硫代)苯胺 is 215.08 g/mol.
Where can I buy 2-((4-甲苯基)硫代)苯胺?
You can request a quote for 2-((4-甲苯基)硫代)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-甲苯基)硫代)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-甲苯基)硫代)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.