5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole
TL;DR: 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole (CAS 96107-86-7) is a chemical compound with molecular formula C3H6N4O2S and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-methylsulfonyltetrazole
Also Known As: 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole, 1-methyl-5-(methylsulfonyl)-1H-tetrazole, 1-methyl-5-methylsulfonyltetrazole, 5-Methanesulfonyl-1-methyl-1H-tetrazole, 866-451-8
| Molecular Formula | C3H6N4O2S |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | -1.3864 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02115 |
| Heavy Atoms | 10 |
| Complexity | 326.02682 |
Chemical Identifiers
| CAS Number | 96107-86-7 |
|---|---|
| SMILES | CN1C(=NN=N1)S(=O)(=O)C |
Product Overview
5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole (CAS 96107-86-7), with molecular formula C3H6N4O2S and molecular weight 162.02 g/mol. IUPAC: 1-methyl-5-methylsulfonyltetrazole.
Chemical Property Profile of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole
Property Insights of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole
The XLogP value of -1.3864 indicates that 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole. Following Lipinski's Rule of Five, 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole 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-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole?
The CAS number of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole is 96107-86-7.
What is the molecular formula of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole?
The molecular formula of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole is C3H6N4O2S.
What is the molecular weight of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole?
The molecular weight of 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole is 162.02 g/mol.
Where can I buy 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole?
You can request a quote for 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methanesulfonyl-1-methyl-1H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.