2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride
TL;DR: 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride (CAS 71517-82-3) is a chemical compound with molecular formula C8H8FN3O2S and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)ethanesulfonyl fluoride
Also Known As: 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride, 2-(1H-1,2,3-benzotriazol-1-yl)ethanesulfonyl fluoride, 2-(benzotriazol-1-yl)ethanesulfonyl fluoride, 2-(1H-Benzo[d][1,2,3]triazol-1-yl)ethanesulfonyl fluoride, 2-benzotriazol-1-ylethanesulfonyl Fluoride
| Molecular Formula | C8H8FN3O2S |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 0.7306 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03212 |
| Heavy Atoms | 15 |
| Complexity | 578.33923 |
Chemical Identifiers
| CAS Number | 71517-82-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CCS(=O)(=O)F |
Product Overview
2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride (CAS 71517-82-3), with molecular formula C8H8FN3O2S and molecular weight 229.03 g/mol. IUPAC: 2-(benzotriazol-1-yl)ethanesulfonyl fluoride.
Chemical Property Profile of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride
Property Insights of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride
The XLogP value of 0.7306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride 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 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride?
The CAS number of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride is 71517-82-3.
What is the molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride?
The molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride is C8H8FN3O2S.
What is the molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride?
The molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride is 229.03 g/mol.
Where can I buy 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride?
You can request a quote for 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-benzotriazol-1-yl)ethane-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.