S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate
TL;DR: S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate (CAS 52065-87-9) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 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)sulfonylsulfanyltetrazole
Also Known As: S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate, 1-phenyl-5-(2,4,6-trimethylphenyl)sulfonylsulfanyltetrazole, 1-PHENYL-5-(2,4,6-TRIMETHYLPHENYL)SULFONYLSULFANYL-TETRAZOLE, 1-Phenyl -5-(2,4,6-trimethylphenyl )sulfonylsulfanyl -tetrazole, S-(1-Phenyl-1H-tetrazol-5-yl) 2,4,6-trimethylbenzene-1-sulfonothioate
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 52065-87-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)SC2=NN=NN2C3=CC=CC=C3)C |
| InChIKey | BBAFUKNFYNNPSB-UHFFFAOYSA-N |
Product Overview
S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate (CAS 52065-87-9), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: 1-phenyl-5-(2,4,6-trimethylphenyl)sulfonylsulfanyltetrazole.
Chemical Property Profile of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate
Property Insights of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate
The XLogP value of 3.9 indicates that S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate has 0 hydrogen bond donor(s) and 6 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 S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate?
The CAS number of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate is 52065-87-9.
What is the molecular formula of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate?
The molecular formula of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate is C16H16N4O2S2.
What is the molecular weight of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate?
The molecular weight of S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate is 360.07 g/mol.
Where can I buy S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate?
You can request a quote for S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(1-Phenyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.