![1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone structure](/static/products/3328/332860-86-3.webp)
1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
TL;DR: 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone (CAS 332860-86-3) is a chemical compound with molecular formula C11H9N3O3S2 and molecular weight 295.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
Also Known As: BAS 01848462, 1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone, 1-{3-nitro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl}ethanone, A1570/0068455, 1-(4-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-3-nitrophenyl)ethanone
| Molecular Formula | C11H9N3O3S2 |
|---|---|
| Molecular Weight | 295.01 g/mol |
| LogP | 3.10852 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.00854 |
| Heavy Atoms | 19 |
| Complexity | 654.385 |
Chemical Identifiers
| CAS Number | 332860-86-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-] |
Product Overview
1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone (CAS 332860-86-3), with molecular formula C11H9N3O3S2 and molecular weight 295.01 g/mol. IUPAC: 1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
Property Insights of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
The XLogP value of 3.10852 indicates that 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-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 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone has 0 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 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone?
The CAS number of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone is 332860-86-3.
What is the molecular formula of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone?
The molecular formula of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone is C11H9N3O3S2.
What is the molecular weight of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone?
The molecular weight of 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone is 295.01 g/mol.
Where can I buy 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone?
You can request a quote for 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-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-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.