4-(Propylthio)aniline
TL;DR: 4-(Propylthio)aniline (CAS 22133-40-0) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propylsulfanylaniline
Also Known As: 4-propylsulfanylaniline, 4-(PROPYLTHIO)ANILINE, 4-n-propylthioaniline, 4-(propylsulfanyl)aniline, 4-aminophenyl propyl sulphide
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 2.7709 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 205.30765 |
Chemical Identifiers
| CAS Number | 22133-40-0 |
|---|---|
| SMILES | CCCSC1=CC=C(C=C1)N |
Product Overview
4-(Propylthio)aniline (CAS 22133-40-0), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 4-propylsulfanylaniline.
Chemical Property Profile of 4-(Propylthio)aniline
Property Insights of 4-(Propylthio)aniline
The XLogP value of 2.7709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propylthio)aniline. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Propylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propylthio)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-(Propylthio)aniline?
The CAS number of 4-(Propylthio)aniline is 22133-40-0.
What is the molecular formula of 4-(Propylthio)aniline?
The molecular formula of 4-(Propylthio)aniline is C9H13NS.
What is the molecular weight of 4-(Propylthio)aniline?
The molecular weight of 4-(Propylthio)aniline is 167.08 g/mol.
Where can I buy 4-(Propylthio)aniline?
You can request a quote for 4-(Propylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.