2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole
TL;DR: 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole (CAS 339203-22-4) is a chemical compound with molecular formula C12H6N6O4S3 and molecular weight 393.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis[(5-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
Also Known As: 2,5-bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole, 2,5-bis[(5-nitropyridin-2-yl)sulfanyl]-1,3,4-thiadiazole, 2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis(5-nitropyridine)
| Molecular Formula | C12H6N6O4S3 |
|---|---|
| Molecular Weight | 393.96 g/mol |
| LogP | 3.4469 |
| Topological Polar Surface Area | 137.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.96127 |
| Heavy Atoms | 25 |
| Complexity | 841.35974 |
Chemical Identifiers
| CAS Number | 339203-22-4 |
|---|---|
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])SC2=NN=C(S2)SC3=NC=C(C=C3)[N+](=O)[O-] |
Product Overview
2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole (CAS 339203-22-4), with molecular formula C12H6N6O4S3 and molecular weight 393.96 g/mol. IUPAC: 2,5-bis[(5-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole
Property Insights of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole
The XLogP value of 3.4469 indicates that 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole?
The CAS number of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole is 339203-22-4.
What is the molecular formula of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole?
The molecular formula of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole is C12H6N6O4S3.
What is the molecular weight of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole?
The molecular weight of 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole is 393.96 g/mol.
Where can I buy 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole?
You can request a quote for 2,5-Bis((5-nitropyridin-2-yl)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 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis((5-nitropyridin-2-yl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.