4-(Benzylsulfanyl)aniline
TL;DR: 4-(Benzylsulfanyl)aniline (CAS 2976-71-8) 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.
4-benzylsulfanylaniline
Also Known As: 4-(benzylsulfanyl)aniline, 4-benzylsulfanylaniline, 4-(Benzylthio)aniline, 4-benzylthioaniline, 4-Aminophenylbenzyl sulfide
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.5611 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 408.3109 |
Chemical Identifiers
| CAS Number | 2976-71-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C=C2)N |
Product Overview
4-(Benzylsulfanyl)aniline (CAS 2976-71-8), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 4-benzylsulfanylaniline.
Chemical Property Profile of 4-(Benzylsulfanyl)aniline
Property Insights of 4-(Benzylsulfanyl)aniline
The XLogP value of 3.5611 indicates that 4-(Benzylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Benzylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylsulfanyl)aniline 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 4-(Benzylsulfanyl)aniline?
The CAS number of 4-(Benzylsulfanyl)aniline is 2976-71-8.
What is the molecular formula of 4-(Benzylsulfanyl)aniline?
The molecular formula of 4-(Benzylsulfanyl)aniline is C13H13NS.
What is the molecular weight of 4-(Benzylsulfanyl)aniline?
The molecular weight of 4-(Benzylsulfanyl)aniline is 215.08 g/mol.
Where can I buy 4-(Benzylsulfanyl)aniline?
You can request a quote for 4-(Benzylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.