N,N-Diethylthiobenzamide
TL;DR: N,N-Diethylthiobenzamide (CAS 18775-06-9) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylbenzenecarbothioamide
Also Known As: N,N-Diethylthiobenzamide, N,N-diethylbenzenecarbothioamide, N,N-Diethylbenzothioamide, benzenethiocarbonyl-N,N-diethylamine, Benzenecarbothioamide, N,N-diethyl-
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 18775-06-9 |
|---|---|
| SMILES | CCN(CC)C(=S)C1=CC=CC=C1 |
| InChIKey | BLKHEHXBEXPSAR-UHFFFAOYSA-N |
Product Overview
N,N-Diethylthiobenzamide (CAS 18775-06-9), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: N,N-diethylbenzenecarbothioamide.
Chemical Property Profile of N,N-Diethylthiobenzamide
Property Insights of N,N-Diethylthiobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethylthiobenzamide. With a topological polar surface area (TPSA) of 35.3 Ų, N,N-Diethylthiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethylthiobenzamide 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-Diethylthiobenzamide?
The CAS number of N,N-Diethylthiobenzamide is 18775-06-9.
What is the molecular formula of N,N-Diethylthiobenzamide?
The molecular formula of N,N-Diethylthiobenzamide is C11H15NS.
What is the molecular weight of N,N-Diethylthiobenzamide?
The molecular weight of N,N-Diethylthiobenzamide is 193.09 g/mol.
Where can I buy N,N-Diethylthiobenzamide?
You can request a quote for N,N-Diethylthiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethylthiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethylthiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.