2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole
TL;DR: 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole (CAS 65992-13-4) is a chemical compound with molecular formula C14H6N10O12S and molecular weight 537.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline
Also Known As: 2,4,6-trinitrophenyl)-1,3,4-thiadiazole, NCI60_027095, 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole, 3,3'-(1,3,4-Thiadiazole-2,5-diyl)bis(2,4,6-trinitroaniline), 3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline
| Molecular Formula | C14H6N10O12S |
|---|---|
| Molecular Weight | 537.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 381.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 2 |
| Exact Mass | 537.9887 |
| Heavy Atoms | 37 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 65992-13-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZQBFPTNBHLNCEN-UHFFFAOYSA-N |
Product Overview
2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole (CAS 65992-13-4), with molecular formula C14H6N10O12S and molecular weight 537.99 g/mol. IUPAC: 3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline.
Chemical Property Profile of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole
Property Insights of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole. The TPSA of 381.0 Ų indicates high polarity, suggesting 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole has 2 hydrogen bond donor(s) and 17 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(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole?
The CAS number of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole is 65992-13-4.
What is the molecular formula of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole?
The molecular formula of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole is C14H6N10O12S.
What is the molecular weight of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole?
The molecular weight of 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole is 537.99 g/mol.
Where can I buy 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole?
You can request a quote for 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-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(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.