![5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole structure](/static/products/5369/53690-03-2.webp)
5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole
TL;DR: 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole (CAS 53690-03-2) is a chemical compound with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-methyl-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole, 2-methyl-5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazole, 5-methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole, 2-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole, 2-METHYL-5-(4-NITRO-BENZYLSULFANYL)-(1,3,4)THIADIAZOLE
| Molecular Formula | C10H9N3O2S2 |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0136 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 53690-03-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AUDLCZVUSGHUNJ-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole (CAS 53690-03-2), with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol. IUPAC: 2-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole
Property Insights of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole 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 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole?
The CAS number of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole is 53690-03-2.
What is the molecular formula of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole?
The molecular formula of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole is C10H9N3O2S2.
What is the molecular weight of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole?
The molecular weight of 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole is 267.01 g/mol.
Where can I buy 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole?
You can request a quote for 5-Methyl-2-[(4-nitrophenyl)methylthio]-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 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.