N,N-diethyl-2-phenylethanethioamide
TL;DR: N,N-diethyl-2-phenylethanethioamide (CAS 4696-96-2) is a chemical compound with molecular formula C12H17NS and molecular weight 207.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-phenylethanethioamide
Also Known As: N,N-diethyl-2-phenylethanethioamide, N,N-Diethylbenzenethioacetamide, N,N-diethyl-2-phenyl-thioacetamide, N,N-diethyl-2-phenyl-ethanethioamide, 1-(diethylamino)-2-phenylethane-1-thione
| Molecular Formula | C12H17NS |
|---|---|
| Molecular Weight | 207.11 g/mol |
| LogP | 2.8983 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10817 |
| Heavy Atoms | 14 |
| Complexity | 277.63303 |
Chemical Identifiers
| CAS Number | 4696-96-2 |
|---|---|
| SMILES | CCN(CC)C(=S)CC1=CC=CC=C1 |
Product Overview
N,N-diethyl-2-phenylethanethioamide (CAS 4696-96-2), with molecular formula C12H17NS and molecular weight 207.11 g/mol. IUPAC: N,N-diethyl-2-phenylethanethioamide.
Chemical Property Profile of N,N-diethyl-2-phenylethanethioamide
Property Insights of N,N-diethyl-2-phenylethanethioamide
The XLogP value of 2.8983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2-phenylethanethioamide. With a topological polar surface area (TPSA) of 3.24 Ų, N,N-diethyl-2-phenylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-2-phenylethanethioamide has 0 hydrogen bond donor(s) and 1 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-diethyl-2-phenylethanethioamide?
The CAS number of N,N-diethyl-2-phenylethanethioamide is 4696-96-2.
What is the molecular formula of N,N-diethyl-2-phenylethanethioamide?
The molecular formula of N,N-diethyl-2-phenylethanethioamide is C12H17NS.
What is the molecular weight of N,N-diethyl-2-phenylethanethioamide?
The molecular weight of N,N-diethyl-2-phenylethanethioamide is 207.11 g/mol.
Where can I buy N,N-diethyl-2-phenylethanethioamide?
You can request a quote for N,N-diethyl-2-phenylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2-phenylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-phenylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.