5-(Mesityldithio)-1-phenyl-1H-tetraazole
TL;DR: 5-(Mesityldithio)-1-phenyl-1H-tetraazole (CAS 52065-84-6) is a chemical compound with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]tetrazole
Also Known As: 5-(Mesityldithio)-1-phenyl-1H-tetraazole, Mesityl 1-phenyl-1H-tetraazol-5-yl disulfide, 1-phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]tetrazole, 1-PHENYL-5-((2,4,6-TRIMETHYLPHENYL)DITHIO)-1H-TETRAZOLE, 1H-TETRAZOLE, 1-PHENYL-5-((2,4,6-TRIMETHYLPHENYL)DITHIO)-
| Molecular Formula | C16H16N4S2 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.08163 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 52065-84-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)SSC2=NN=NN2C3=CC=CC=C3)C |
| InChIKey | JGTXTOWSOSIGCT-UHFFFAOYSA-N |
Product Overview
5-(Mesityldithio)-1-phenyl-1H-tetraazole (CAS 52065-84-6), with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol. IUPAC: 1-phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]tetrazole.
Chemical Property Profile of 5-(Mesityldithio)-1-phenyl-1H-tetraazole
Property Insights of 5-(Mesityldithio)-1-phenyl-1H-tetraazole
The XLogP value of 4.8 indicates that 5-(Mesityldithio)-1-phenyl-1H-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Mesityldithio)-1-phenyl-1H-tetraazole. Following Lipinski's Rule of Five, 5-(Mesityldithio)-1-phenyl-1H-tetraazole has 0 hydrogen bond donor(s) and 5 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-(Mesityldithio)-1-phenyl-1H-tetraazole?
The CAS number of 5-(Mesityldithio)-1-phenyl-1H-tetraazole is 52065-84-6.
What is the molecular formula of 5-(Mesityldithio)-1-phenyl-1H-tetraazole?
The molecular formula of 5-(Mesityldithio)-1-phenyl-1H-tetraazole is C16H16N4S2.
What is the molecular weight of 5-(Mesityldithio)-1-phenyl-1H-tetraazole?
The molecular weight of 5-(Mesityldithio)-1-phenyl-1H-tetraazole is 328.08 g/mol.
Where can I buy 5-(Mesityldithio)-1-phenyl-1H-tetraazole?
You can request a quote for 5-(Mesityldithio)-1-phenyl-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Mesityldithio)-1-phenyl-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Mesityldithio)-1-phenyl-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.