1-(1-Phenylsulfanylbutyl)benzotriazole
TL;DR: 1-(1-Phenylsulfanylbutyl)benzotriazole (CAS 111098-62-5) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-phenylsulfanylbutyl)benzotriazole
Also Known As: starbld0013585, 1-(1-phenylsulfanylbutyl)benzotriazole, 1-[1-(Phenylsulfanyl)butyl]-1H-1,2,3-benzotriazole, 1-(1-(Phenylthio)butyl)-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C16H17N3S |
| Molecular Weight | 283.11432 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.11432 Da |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
| SMILES | CCCC(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3 |
| InChIKey | JWGGKWXMAVSTHA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Phenylsulfanylbutyl)benzotriazole
Property Insights of 1-(1-Phenylsulfanylbutyl)benzotriazole
The XLogP value of 4.9 indicates that 1-(1-Phenylsulfanylbutyl)benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.0 Ų, 1-(1-Phenylsulfanylbutyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Phenylsulfanylbutyl)benzotriazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Phenylsulfanylbutyl)benzotriazole?
The CAS number of 1-(1-Phenylsulfanylbutyl)benzotriazole is 111098-62-5.
What is the molecular formula of 1-(1-Phenylsulfanylbutyl)benzotriazole?
The molecular formula of 1-(1-Phenylsulfanylbutyl)benzotriazole is C16H17N3S.
What is the molecular weight of 1-(1-Phenylsulfanylbutyl)benzotriazole?
The molecular weight of 1-(1-Phenylsulfanylbutyl)benzotriazole is 283.11432 g/mol.
Where can I buy 1-(1-Phenylsulfanylbutyl)benzotriazole?
You can request a quote for 1-(1-Phenylsulfanylbutyl)benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Phenylsulfanylbutyl)benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(1-Phenylsulfanylbutyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.