N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
TL;DR: N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 391864-14-5) is a chemical compound with molecular formula C10H8N4O3S2 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
Also Known As: N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide, F0453-0297, 4-methyl-3-nitro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
| Molecular Formula | C10H8N4O3S2 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 2.66961 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.00378 |
| Heavy Atoms | 19 |
| Complexity | 706.7955 |
Chemical Identifiers
| CAS Number | 391864-14-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NNC(=S)S2)[N+](=O)[O-] |
Product Overview
N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 391864-14-5), with molecular formula C10H8N4O3S2 and molecular weight 296.00 g/mol. IUPAC: 4-methyl-3-nitro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide.
Chemical Property Profile of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
Property Insights of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
The XLogP value of 2.66961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide has 2 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 N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The CAS number of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is 391864-14-5.
What is the molecular formula of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular formula of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is C10H8N4O3S2.
What is the molecular weight of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular weight of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is 296.00 g/mol.
Where can I buy N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
You can request a quote for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.