1-Methanesulfonyl-1H-benzotriazole
TL;DR: 1-Methanesulfonyl-1H-benzotriazole (CAS 37357-55-4) is a chemical compound with molecular formula C7H7N3O2S and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylbenzotriazole
Also Known As: 1-(Methylsulfonyl)-1H-benzotriazole, 1-methylsulfonylbenzotriazole, 1-(methylsulfonyl)-1H-benzo[d][1,2,3]triazole, 1-methylsulfonyl-1h-benzotriazole, 1-Mesyl-1H-benzotriazole
| Molecular Formula | C7H7N3O2S |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.239 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.0259 |
| Heavy Atoms | 13 |
| Complexity | 543.6179 |
Chemical Identifiers
| CAS Number | 37357-55-4 |
|---|---|
| SMILES | CS(=O)(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
1-Methanesulfonyl-1H-benzotriazole (CAS 37357-55-4), with molecular formula C7H7N3O2S and molecular weight 197.03 g/mol. IUPAC: 1-methylsulfonylbenzotriazole.
Chemical Property Profile of 1-Methanesulfonyl-1H-benzotriazole
Property Insights of 1-Methanesulfonyl-1H-benzotriazole
The XLogP value of 0.239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methanesulfonyl-1H-benzotriazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methanesulfonyl-1H-benzotriazole. Following Lipinski's Rule of Five, 1-Methanesulfonyl-1H-benzotriazole has 0 hydrogen bond donor(s) and 4 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 1-Methanesulfonyl-1H-benzotriazole?
The CAS number of 1-Methanesulfonyl-1H-benzotriazole is 37357-55-4.
What is the molecular formula of 1-Methanesulfonyl-1H-benzotriazole?
The molecular formula of 1-Methanesulfonyl-1H-benzotriazole is C7H7N3O2S.
What is the molecular weight of 1-Methanesulfonyl-1H-benzotriazole?
The molecular weight of 1-Methanesulfonyl-1H-benzotriazole is 197.03 g/mol.
Where can I buy 1-Methanesulfonyl-1H-benzotriazole?
You can request a quote for 1-Methanesulfonyl-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methanesulfonyl-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methanesulfonyl-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.