![2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone structure](/static/products/7219/721905-01-7.webp)
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone
TL;DR: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone (CAS 721905-01-7) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 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-(1-benzofuran-2-yl)ethanone
Also Known As: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone, AS-871/43416211, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzofuran-2-yl)ethanone, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-(benzofuran-2-yl)ethanone, 2-(5-amino(4H-1,2,4-triazol-3-ylthio))-1-benzo[d]furan-2-ylethan-1-one
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.1081 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 700.99664 |
Chemical Identifiers
| CAS Number | 721905-01-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone (CAS 721905-01-7), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone.
Chemical Property Profile of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone
Property Insights of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone
The XLogP value of 2.1081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone. Following Lipinski's Rule of Five, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone 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 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone?
The CAS number of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone is 721905-01-7.
What is the molecular formula of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone?
The molecular formula of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone is C12H10N4O2S.
What is the molecular weight of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone?
The molecular weight of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone is 274.05 g/mol.
Where can I buy 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone?
You can request a quote for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)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-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.