![Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- structure](/static/products/1048/104847-44-1.webp)
Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-
TL;DR: Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- (CAS 104847-44-1) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(methylcarbamothioyl)-4-nitrobenzamide
Also Known As: dehydrolinalyl methyl carbonate, N-(methylcarbamothioyl)-4-nitrobenzamide, Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-, N-(methylthiocarbamoyl)-4-nitro-benzamide
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.8289 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 430.13028 |
Chemical Identifiers
| CAS Number | 104847-44-1 |
|---|---|
| SMILES | CNC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- (CAS 104847-44-1), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: N-(methylcarbamothioyl)-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-
Property Insights of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-
The XLogP value of 0.8289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- has 2 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 Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-?
The CAS number of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- is 104847-44-1.
What is the molecular formula of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-?
The molecular formula of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- is C9H9N3O3S.
What is the molecular weight of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-?
The molecular weight of Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- is 239.04 g/mol.
Where can I buy Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-?
You can request a quote for Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-[(methylamino)thioxomethyl]-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-[(methylamino)thioxomethyl]-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.