5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline
TL;DR: 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline (CAS 81585-45-7) is a chemical compound with molecular formula C10H8N4O3S and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-imino-4-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanone
Also Known As: 5-acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline, 1-[5-imino-4-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanone, 2-acetyl-5-imino-4-(2-nitrophenyl)-, currency2-1,3,4-thiadiazoline, 1-[5-Imino-4-(2-nitro-phenyl)-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-ethanone
| Molecular Formula | C10H8N4O3S |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 1.52407 |
| Topological Polar Surface Area | 101.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0317 |
| Heavy Atoms | 18 |
| Complexity | 688.4264 |
Chemical Identifiers
| CAS Number | 81585-45-7 |
|---|---|
| SMILES | CC(=O)C1=NN(C(=N)S1)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline (CAS 81585-45-7), with molecular formula C10H8N4O3S and molecular weight 264.03 g/mol. IUPAC: 1-[5-imino-4-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanone.
Chemical Property Profile of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline
Property Insights of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline
The XLogP value of 1.52407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline. The TPSA of 101.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline. Following Lipinski's Rule of Five, 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline has 1 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 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline?
The CAS number of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline is 81585-45-7.
What is the molecular formula of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline?
The molecular formula of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline is C10H8N4O3S.
What is the molecular weight of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline?
The molecular weight of 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline is 264.03 g/mol.
Where can I buy 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline?
You can request a quote for 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-imino-3-(2-nitrophenyl)-1,3,4-thiadiazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.