1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- (CAS 13578-48-8) is a chemical compound with molecular formula C8H7N3O2S and molecular weight 209.0259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-, 1-(benzenesulfonyl)-1,2,4-triazole, 1-(phenylsulfonyl)-1H-1,2,4-triazole, 1-(phenylsulfonyl)-1,2,4-triazole, 1-(benzenesulfonyl)-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.0259 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0259 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2 |
| InChIKey | XXWDFVCAJNWDEH-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- 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
What is the CAS number of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- is 13578-48-8.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- is C8H7N3O2S.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- is 209.0259 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 1-(phenylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 1-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.