2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole
TL;DR: 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole (CAS 477330-55-5) is a chemical compound with molecular formula C16H13N3O2S3 and molecular weight 375.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole, 2-Benzylsulfanyl-5-(4-nitro-benzylsulfanyl)-[1,3,4]thiadiazole, 2-(benzylsulfanyl)-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole, 2-(benzylthio)-5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazole, 2-[(4-nitrophenyl)methylthio]-5-(phenylmethylthio)-1,3,4-thiadiazole
| Molecular Formula | C16H13N3O2S3 |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 5.0309 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.017 |
| Heavy Atoms | 24 |
| Complexity | 806.94965 |
Chemical Identifiers
| CAS Number | 477330-55-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole (CAS 477330-55-5), with molecular formula C16H13N3O2S3 and molecular weight 375.02 g/mol. IUPAC: 2-benzylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole
Property Insights of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole
The XLogP value of 5.0309 indicates that 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole?
The CAS number of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole is 477330-55-5.
What is the molecular formula of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole?
The molecular formula of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole is C16H13N3O2S3.
What is the molecular weight of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole?
The molecular weight of 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole is 375.02 g/mol.
Where can I buy 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole?
You can request a quote for 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-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-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.