N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide
TL;DR: N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide (CAS 82829-68-3) is a chemical compound with molecular formula C10H11N5OS2 and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide
Also Known As: EINECS 280-049-4, N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide, 2-methylsulfanyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide, Acetamide, N-(3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)-, Acetamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-2-(methylthio)-
| Molecular Formula | C10H11N5OS2 |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 1.62639 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0405 |
| Heavy Atoms | 18 |
| Complexity | 606.06555 |
Chemical Identifiers
| CAS Number | 82829-68-3 |
|---|---|
| SMILES | CSCC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2 |
Product Overview
N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide (CAS 82829-68-3), with molecular formula C10H11N5OS2 and molecular weight 281.04 g/mol. IUPAC: 2-methylsulfanyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide.
Chemical Property Profile of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide
Property Insights of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide
The XLogP value of 1.62639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide. Following Lipinski's Rule of Five, N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide has 2 hydrogen bond donor(s) and 5 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-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide?
The CAS number of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide is 82829-68-3.
What is the molecular formula of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide?
The molecular formula of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide is C10H11N5OS2.
What is the molecular weight of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide?
The molecular weight of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide is 281.04 g/mol.
Where can I buy N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide?
You can request a quote for N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-2-(methylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.