N,N-Dimethyl-4-((phenylthio)methyl)benzenamine
TL;DR: N,N-Dimethyl-4-((phenylthio)methyl)benzenamine (CAS 956-71-8) is a chemical compound with molecular formula C15H17NS and molecular weight 243.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(phenylsulfanylmethyl)aniline
Also Known As: NCIOpen2_005538, p-Toluidine, N,N-dimethyl-alpha-(phenylthio)-, N,N-dimethyl-4-(phenylthiomethyl)benzenamine, N,N-Dimethyl-alpha-(phenylthio)-p-toluidine, Benzenamine, N,N-dimethyl-4-((phenylthio)methyl)-
| Molecular Formula | C15H17NS |
|---|---|
| Molecular Weight | 243.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.10817 |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 956-71-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CSC2=CC=CC=C2 |
| InChIKey | GKZRKLAIOOGLFV-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-4-((phenylthio)methyl)benzenamine (CAS 956-71-8), with molecular formula C15H17NS and molecular weight 243.11 g/mol. IUPAC: N,N-dimethyl-4-(phenylsulfanylmethyl)aniline.
Chemical Property Profile of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine
Property Insights of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine
The XLogP value of 4.1 indicates that N,N-Dimethyl-4-((phenylthio)methyl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, N,N-Dimethyl-4-((phenylthio)methyl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-((phenylthio)methyl)benzenamine has 0 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,N-Dimethyl-4-((phenylthio)methyl)benzenamine?
The CAS number of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine is 956-71-8.
What is the molecular formula of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine?
The molecular formula of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine is C15H17NS.
What is the molecular weight of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine?
The molecular weight of N,N-Dimethyl-4-((phenylthio)methyl)benzenamine is 243.11 g/mol.
Where can I buy N,N-Dimethyl-4-((phenylthio)methyl)benzenamine?
You can request a quote for N,N-Dimethyl-4-((phenylthio)methyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-((phenylthio)methyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-((phenylthio)methyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.