![1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone structure](/static/products/332/332860-88-5.png)
1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone
TL;DR: 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone (CAS 332860-88-5) is a chemical compound with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]ethanone
Also Known As: 1-(4-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrophenyl)ethanone, 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]ethanone, 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone, 1-{4-[(4-METHYL-1,2,4-TRIAZOL-3-YL)SULFANYL]-3-NITROPHENYL}ETHANONE
| Molecular Formula | C11H10N4O3S |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.0771 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.04736 |
| Heavy Atoms | 19 |
| Complexity | 653.1399 |
Chemical Identifiers
| CAS Number | 332860-88-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-] |
Product Overview
1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone (CAS 332860-88-5), with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol. IUPAC: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone
Property Insights of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone
The XLogP value of 2.0771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone. Following Lipinski's Rule of Five, 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone has 0 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 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone?
The CAS number of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone is 332860-88-5.
What is the molecular formula of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone?
The molecular formula of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone is C11H10N4O3S.
What is the molecular weight of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone?
The molecular weight of 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone is 278.05 g/mol.
Where can I buy 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone?
You can request a quote for 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.