![2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone structure](/static/products/7142/714203-29-9.webp)
2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
TL;DR: 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 714203-29-9) is a chemical compound with molecular formula C11H9N3O3S3 and molecular weight 326.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: CBKinase1_010108, CBKinase1_022508, BRD-K34749106-001-01-8, 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone, 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
| Molecular Formula | C11H9N3O3S3 |
|---|---|
| Molecular Weight | 326.98 g/mol |
| LogP | 3.1432 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.9806 |
| Heavy Atoms | 20 |
| Complexity | 627.3436 |
Chemical Identifiers
| CAS Number | 714203-29-9 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 714203-29-9), with molecular formula C11H9N3O3S3 and molecular weight 326.98 g/mol. IUPAC: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Property Insights of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
The XLogP value of 3.1432 indicates that 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 8 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-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The CAS number of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is 714203-29-9.
What is the molecular formula of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is C11H9N3O3S3.
What is the molecular weight of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is 326.98 g/mol.
Where can I buy 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-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-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.