![1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole structure](/static/products/1388/138883-62-2.webp)
1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole (CAS 138883-62-2) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1-phenylsulfanylpropyl)benzotriazole
Also Known As: 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole, 1-(2-methyl-1-phenylsulfanylpropyl)benzotriazole, 1-(2-methyl-1-phenylsulfanyl-propyl)benzotriazole, 1-[1-(Phenylthio)-2-methylpropyl]-1H-benzotriazole
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 4.3782 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.11432 |
| Heavy Atoms | 20 |
| Complexity | 691.0232 |
Chemical Identifiers
| CAS Number | 138883-62-2 |
|---|---|
| SMILES | CC(C)C(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3 |
Product Overview
1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole (CAS 138883-62-2), with molecular formula C16H17N3S and molecular weight 283.11 g/mol. IUPAC: 1-(2-methyl-1-phenylsulfanylpropyl)benzotriazole.
Chemical Property Profile of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole
The XLogP value of 4.3782 indicates that 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-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
Frequently Asked Questions
What is the CAS number of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole is 138883-62-2.
What is the molecular formula of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole is C16H17N3S.
What is the molecular weight of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole is 283.11 g/mol.
Where can I buy 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Methyl-1-(phenylsulfanyl)propyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.