![N-[4-(Methylthio)benzyl]-1-propanamine structure](/static/products/893/893586-96-4.png)
N-[4-(Methylthio)benzyl]-1-propanamine
TL;DR: N-[4-(Methylthio)benzyl]-1-propanamine (CAS 893586-96-4) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
Also Known As: {[4-(methylsulfanyl)phenyl]methyl}(propyl)amine, N-[4-(METHYLTHIO)BENZYL]-1-PROPANAMINE, N-{[4-(Methylsulfanyl)phenyl]methyl}, CHEMBRDG-BB9070487, CHEMBRDG-BB 9070487
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 2.9081 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 230.35052 |
Chemical Identifiers
| CAS Number | 893586-96-4 |
|---|---|
| SMILES | CCCNCC1=CC=C(C=C1)SC |
Product Overview
N-[4-(Methylthio)benzyl]-1-propanamine (CAS 893586-96-4), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: N-[(4-methylsulfanylphenyl)methyl]propan-1-amine.
Chemical Property Profile of N-[4-(Methylthio)benzyl]-1-propanamine
Property Insights of N-[4-(Methylthio)benzyl]-1-propanamine
The XLogP value of 2.9081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(Methylthio)benzyl]-1-propanamine. With a topological polar surface area (TPSA) of 12.03 Ų, N-[4-(Methylthio)benzyl]-1-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(Methylthio)benzyl]-1-propanamine 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 N-[4-(Methylthio)benzyl]-1-propanamine?
The CAS number of N-[4-(Methylthio)benzyl]-1-propanamine is 893586-96-4.
What is the molecular formula of N-[4-(Methylthio)benzyl]-1-propanamine?
The molecular formula of N-[4-(Methylthio)benzyl]-1-propanamine is C11H17NS.
What is the molecular weight of N-[4-(Methylthio)benzyl]-1-propanamine?
The molecular weight of N-[4-(Methylthio)benzyl]-1-propanamine is 195.11 g/mol.
Where can I buy N-[4-(Methylthio)benzyl]-1-propanamine?
You can request a quote for N-[4-(Methylthio)benzyl]-1-propanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(Methylthio)benzyl]-1-propanamine?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(Methylthio)benzyl]-1-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.