![2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole structure](/static/products/311/311331-92-7.png)
2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
TL;DR: 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CAS 311331-92-7) is a chemical compound with molecular formula C11H11N3O3S2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
Also Known As: BAS 01172448, A1158/0054116, 2-((4-methoxy-3-nitrobenzyl)thio)-5-methyl-1,3,4-thiadiazole, 2-({3-nitro-4-methoxybenzyl}sulfanyl)-5-methyl-1,3,4-thiadiazole, 2-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-[1,3,4]thiadiazole
| Molecular Formula | C11H11N3O3S2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.02417 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 311331-92-7 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | QMLQEXCFDKLQQC-UHFFFAOYSA-N |
Product Overview
2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CAS 311331-92-7), with molecular formula C11H11N3O3S2 and molecular weight 297.02 g/mol. IUPAC: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
Property Insights of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole 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 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The CAS number of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole is 311331-92-7.
What is the molecular formula of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The molecular formula of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole is C11H11N3O3S2.
What is the molecular weight of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The molecular weight of 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole is 297.02 g/mol.
Where can I buy 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
You can request a quote for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.