1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-
TL;DR: 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- (CAS 73768-82-8) is a chemical compound with molecular formula C8H5N5O4S and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole
Also Known As: Maybridge1_003129, 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-, 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole, 3-((2,4-Dinitrophenyl)thio)-1H-1,2,4-triazole, 3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole
| Molecular Formula | C8H5N5O4S |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.00623 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 73768-82-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NN2 |
| InChIKey | DKWSAVGWRKSTQR-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- (CAS 73768-82-8), with molecular formula C8H5N5O4S and molecular weight 267.01 g/mol. IUPAC: 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-
Property Insights of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-. The TPSA of 159.0 Ų indicates high polarity, suggesting 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- has 1 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 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-?
The CAS number of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- is 73768-82-8.
What is the molecular formula of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-?
The molecular formula of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- is C8H5N5O4S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-?
The molecular weight of 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- is 267.01 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-?
You can request a quote for 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.