N-ethyl-N-(3-nitrophenyl)sulfanylethanamine
TL;DR: N-ethyl-N-(3-nitrophenyl)sulfanylethanamine (CAS 61076-30-0) is a chemical compound with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-(3-nitrophenyl)sulfanylethanamine
Also Known As: N-ethyl-N-(3-nitrophenyl)sulfanylethanamine, BENZENESULFENAMIDE,N,N-DIETHYL-3-NITRO-, N-Ethyl-N-[(3-nitrophenyl)sulfanyl]ethanamine
| Molecular Formula | C10H14N2O2S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.0776 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 61076-30-0 |
|---|---|
| SMILES | CCN(CC)SC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | RJBSNRVRNPOWDA-UHFFFAOYSA-N |
Product Overview
N-ethyl-N-(3-nitrophenyl)sulfanylethanamine (CAS 61076-30-0), with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol. IUPAC: N-ethyl-N-(3-nitrophenyl)sulfanylethanamine.
Chemical Property Profile of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine
Property Insights of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-(3-nitrophenyl)sulfanylethanamine. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-N-(3-nitrophenyl)sulfanylethanamine. Following Lipinski's Rule of Five, N-ethyl-N-(3-nitrophenyl)sulfanylethanamine has 0 hydrogen bond donor(s) and 4 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-ethyl-N-(3-nitrophenyl)sulfanylethanamine?
The CAS number of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine is 61076-30-0.
What is the molecular formula of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine?
The molecular formula of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine is C10H14N2O2S.
What is the molecular weight of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine?
The molecular weight of N-ethyl-N-(3-nitrophenyl)sulfanylethanamine is 226.08 g/mol.
Where can I buy N-ethyl-N-(3-nitrophenyl)sulfanylethanamine?
You can request a quote for N-ethyl-N-(3-nitrophenyl)sulfanylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-N-(3-nitrophenyl)sulfanylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N-(3-nitrophenyl)sulfanylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.