Benzenamine, 4-(((4-methylphenyl)thio)methyl)-
TL;DR: Benzenamine, 4-(((4-methylphenyl)thio)methyl)- (CAS 54306-13-7) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylphenyl)sulfanylmethyl]aniline
Also Known As: alpha-(p-Tolylthio)-p-toluidine, p-Toluidine, alpha-(p-tolylthio)-, 4-[ sulfanylmethyl]aniline, A-(p-tolylthio)-p-toluidine, NCIOpen2_005736
| Molecular Formula | C14H15NS |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.09251 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 54306-13-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC=C(C=C2)N |
| InChIKey | SDGPGFLEUFXPCV-UHFFFAOYSA-N |
Product Overview
Benzenamine, 4-(((4-methylphenyl)thio)methyl)- (CAS 54306-13-7), with molecular formula C14H15NS and molecular weight 229.09 g/mol. IUPAC: 4-[(4-methylphenyl)sulfanylmethyl]aniline.
Chemical Property Profile of Benzenamine, 4-(((4-methylphenyl)thio)methyl)-
Property Insights of Benzenamine, 4-(((4-methylphenyl)thio)methyl)-
The XLogP value of 3.6 indicates that Benzenamine, 4-(((4-methylphenyl)thio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Benzenamine, 4-(((4-methylphenyl)thio)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-(((4-methylphenyl)thio)methyl)- 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 Benzenamine, 4-(((4-methylphenyl)thio)methyl)-?
The CAS number of Benzenamine, 4-(((4-methylphenyl)thio)methyl)- is 54306-13-7.
What is the molecular formula of Benzenamine, 4-(((4-methylphenyl)thio)methyl)-?
The molecular formula of Benzenamine, 4-(((4-methylphenyl)thio)methyl)- is C14H15NS.
What is the molecular weight of Benzenamine, 4-(((4-methylphenyl)thio)methyl)-?
The molecular weight of Benzenamine, 4-(((4-methylphenyl)thio)methyl)- is 229.09 g/mol.
Where can I buy Benzenamine, 4-(((4-methylphenyl)thio)methyl)-?
You can request a quote for Benzenamine, 4-(((4-methylphenyl)thio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-(((4-methylphenyl)thio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-(((4-methylphenyl)thio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.