p-Toluidine, alpha-(phenylthio)-
TL;DR: p-Toluidine, alpha-(phenylthio)- (CAS 13738-70-0) 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.
4-(phenylsulfanylmethyl)aniline
Also Known As: 4-[(phenylsulfanyl)methyl]aniline, 4-((Phenylthio)methyl)aniline, 4-(phenylsulfanylmethyl)aniline, 4-[(Phenylthio)methyl]aniline, p-Toluidine, alpha-(phenylthio)-
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 13738-70-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC=C(C=C2)N |
| InChIKey | BETHGEVRYKIURN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluidine, alpha-(phenylthio)- (CAS 13738-70-0), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 4-(phenylsulfanylmethyl)aniline.
Chemical Property Profile of p-Toluidine, alpha-(phenylthio)-
Property Insights of p-Toluidine, alpha-(phenylthio)-
The XLogP value of 3.2 indicates that p-Toluidine, alpha-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, p-Toluidine, alpha-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluidine, alpha-(phenylthio)- 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 p-Toluidine, alpha-(phenylthio)-?
The CAS number of p-Toluidine, alpha-(phenylthio)- is 13738-70-0.
What is the molecular formula of p-Toluidine, alpha-(phenylthio)-?
The molecular formula of p-Toluidine, alpha-(phenylthio)- is C13H13NS.
What is the molecular weight of p-Toluidine, alpha-(phenylthio)-?
The molecular weight of p-Toluidine, alpha-(phenylthio)- is 215.08 g/mol.
Where can I buy p-Toluidine, alpha-(phenylthio)-?
You can request a quote for p-Toluidine, alpha-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluidine, alpha-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluidine, alpha-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.