S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate
TL;DR: S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate (CAS 63685-01-8) is a chemical compound with molecular formula C8H8N4O2S2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfonylsulfanyl-1-phenyltetrazole
Also Known As: 5-methylsulfonylsulfanyl-1-phenyltetrazole, S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate, (methylsulfonyl)(1-phenyl(1,2,3,4-tetraazol-5-yl))thio, 9H-Fluorene-2-carboxamide,4,5,7-trinitro-9-oxo-N-propyl, 5-(METHANESULFONYLSULFANYL)-1-PHENYL-1,2,3,4-TETRAZOLE
| Molecular Formula | C8H8N4O2S2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 0.714 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.00888 |
| Heavy Atoms | 16 |
| Complexity | 579.0956 |
Chemical Identifiers
| CAS Number | 63685-01-8 |
|---|---|
| SMILES | CS(=O)(=O)SC1=NN=NN1C2=CC=CC=C2 |
Product Overview
S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate (CAS 63685-01-8), with molecular formula C8H8N4O2S2 and molecular weight 256.01 g/mol. IUPAC: 5-methylsulfonylsulfanyl-1-phenyltetrazole.
Chemical Property Profile of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate
Property Insights of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate
The XLogP value of 0.714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate. Following Lipinski's Rule of Five, S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate 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-tetrazol-5-yl) methanesulfonothioate?
The CAS number of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate is 63685-01-8.
What is the molecular formula of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate?
The molecular formula of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate is C8H8N4O2S2.
What is the molecular weight of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate?
The molecular weight of S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate is 256.01 g/mol.
Where can I buy S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate?
You can request a quote for S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate 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-tetrazol-5-yl) methanesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.