N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine
TL;DR: N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine (CAS 709644-47-3) is a chemical compound with molecular formula C12H22N2S and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,1-triethyl-5-ethylsulfanylpyrrol-2-amine
Also Known As: diethyl(1-ethyl-5-ethylthiopyrrol-2-yl)amine, N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine, N,N,1-triethyl-5-ethylsulfanylpyrrol-2-amine, N,N,1-triethyl-5-ethylsulfanyl-pyrrol-2-amine, 1H-Pyrrol-2-amine, N,N,1-triethyl-5-(ethylthio)- (9CI)
| Molecular Formula | C12H22N2S |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 3.4662 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.15038 |
| Heavy Atoms | 15 |
| Complexity | 289.81226 |
Chemical Identifiers
| CAS Number | 709644-47-3 |
|---|---|
| SMILES | CCN1C(=CC=C1SCC)N(CC)CC |
Product Overview
N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine (CAS 709644-47-3), with molecular formula C12H22N2S and molecular weight 226.15 g/mol. IUPAC: N,N,1-triethyl-5-ethylsulfanylpyrrol-2-amine.
Chemical Property Profile of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine
Property Insights of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine
The XLogP value of 3.4662 indicates that N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine 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,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine?
The CAS number of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine is 709644-47-3.
What is the molecular formula of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine?
The molecular formula of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine is C12H22N2S.
What is the molecular weight of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine?
The molecular weight of N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine is 226.15 g/mol.
Where can I buy N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine?
You can request a quote for N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N,1-Triethyl-5-(ethylthio)-1H-pyrrol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.