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N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide
TL;DR: N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide (CAS 500545-54-0) is a chemical compound with molecular formula C9H8N4OS2 and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide
Also Known As: 3-Phenyl-cyclopentanol, N-(3,5-Dithioxo-1,2,4-triazolidin-4-yl)benzamide, N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide, BENZAMIDE, N-(3,5-DITHIOXO-1,2,4-TRIAZOLIDIN-4-YL)-, Benzamide, N-(3,5-dithioxo-1,2,4-triazolidin-4-yl)- (9CI)
| Molecular Formula | C9H8N4OS2 |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 1.98718 |
| Topological Polar Surface Area | 65.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.01395 |
| Heavy Atoms | 16 |
| Complexity | 582.6844 |
Chemical Identifiers
| CAS Number | 500545-54-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NN2C(=S)NNC2=S |
Product Overview
N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide (CAS 500545-54-0), with molecular formula C9H8N4OS2 and molecular weight 252.01 g/mol. IUPAC: N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide.
Chemical Property Profile of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide
Property Insights of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide
The XLogP value of 1.98718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide. The TPSA of 65.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide. Following Lipinski's Rule of Five, N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide has 3 hydrogen bond donor(s) and 3 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-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide?
The CAS number of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide is 500545-54-0.
What is the molecular formula of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide?
The molecular formula of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide is C9H8N4OS2.
What is the molecular weight of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide?
The molecular weight of N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide is 252.01 g/mol.
Where can I buy N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide?
You can request a quote for N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.