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Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-
TL;DR: Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- (CAS 642954-57-2) is a chemical compound with molecular formula C12H14N4O5S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diethylcarbamothioyl)-3,5-dinitrobenzamide
Also Known As: Tris-p-biphenylyl-chlor-methan, N-(diethylcarbamothioyl)-3,5-dinitrobenzamide, Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-, N'-(3,5-Dinitrobenzoyl)-N,N-diethylthiourea, N-(diethylthiocarbamoyl)-3,5-dinitro-benzamide
| Molecular Formula | C12H14N4O5S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 1.8595 |
| Topological Polar Surface Area | 118.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.06848 |
| Heavy Atoms | 22 |
| Complexity | 597.6927 |
Chemical Identifiers
| CAS Number | 642954-57-2 |
|---|---|
| SMILES | CCN(CC)C(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- (CAS 642954-57-2), with molecular formula C12H14N4O5S and molecular weight 326.07 g/mol. IUPAC: N-(diethylcarbamothioyl)-3,5-dinitrobenzamide.
Chemical Property Profile of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-
Property Insights of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-
The XLogP value of 1.8595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-. The TPSA of 118.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-. Following Lipinski's Rule of Five, Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- has 1 hydrogen bond donor(s) and 6 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 Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-?
The CAS number of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- is 642954-57-2.
What is the molecular formula of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-?
The molecular formula of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- is C12H14N4O5S.
What is the molecular weight of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-?
The molecular weight of Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- is 326.07 g/mol.
Where can I buy Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-?
You can request a quote for Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-[(diethylamino)thioxomethyl]-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.