S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
TL;DR: S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate (CAS 51618-45-2) is a chemical compound with molecular formula C9H10N4O2S2 and molecular weight 270.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-methylphenyl)sulfonylsulfanyltetrazole
Also Known As: S-(1-Methyl-1H-tetraazol-5-yl) 4-methylbenzenesulfonothioate, 1-METHYL-5-(4-METHYLPHENYL)SULFONYLSULFANYL-TETRAZOLE, 1-methyl-5-(p-tolylsulfonylsulfanyl)tetrazole, S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate, 1-methyl-5-(4-methylphenyl)sulfonylsulfanyltetrazole
| Molecular Formula | C9H10N4O2S2 |
|---|---|
| Molecular Weight | 270.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0245 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 51618-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SC2=NN=NN2C |
| InChIKey | HKWRBJZYIKUKHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate (CAS 51618-45-2), with molecular formula C9H10N4O2S2 and molecular weight 270.02 g/mol. IUPAC: 1-methyl-5-(4-methylphenyl)sulfonylsulfanyltetrazole.
Chemical Property Profile of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
Property Insights of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate 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-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate?
The CAS number of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate is 51618-45-2.
What is the molecular formula of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate?
The molecular formula of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate is C9H10N4O2S2.
What is the molecular weight of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate?
The molecular weight of S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate is 270.02 g/mol.
Where can I buy S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate?
You can request a quote for S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.