![2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone structure](/static/products/634/634162-96-2.png)
2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone
TL;DR: 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone (CAS 634162-96-2) is a chemical compound with molecular formula C10H9N5O3S and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: AP-906/41739061, 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone, 2-(5-amino(4H-1,2,4-triazol-3-ylthio))-1-(3-nitrophenyl)ethan-1-one, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-{3-nitrophenyl}ethanone
| Molecular Formula | C10H9N5O3S |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 1.2701 |
| Topological Polar Surface Area | 127.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0426 |
| Heavy Atoms | 19 |
| Complexity | 627.1326 |
Chemical Identifiers
| CAS Number | 634162-96-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)N |
Product Overview
2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone (CAS 634162-96-2), with molecular formula C10H9N5O3S and molecular weight 279.04 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone
Property Insights of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone
The XLogP value of 1.2701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone. The TPSA of 127.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone has 2 hydrogen bond donor(s) and 7 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 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone?
The CAS number of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone is 634162-96-2.
What is the molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone?
The molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone is C10H9N5O3S.
What is the molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone?
The molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone is 279.04 g/mol.
Where can I buy 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone?
You can request a quote for 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.