2-(Phenylsulfanylmethyl)benzotriazole
TL;DR: 2-(Phenylsulfanylmethyl)benzotriazole (CAS 300679-80-5) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylsulfanylmethyl)benzotriazole
Also Known As: starbld0027797, 2-(phenylsulfanylmethyl)benzotriazole, 2-[(Phenylsulfanyl)methyl]-2H-1,2,3-benzotriazole, 2-((Phenylthio)methyl)-2H-benzo[d][1,2,3]triazole
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.1811 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 585.6557 |
Chemical Identifiers
| CAS Number | 300679-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCN2N=C3C=CC=CC3=N2 |
Product Overview
2-(Phenylsulfanylmethyl)benzotriazole (CAS 300679-80-5), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 2-(phenylsulfanylmethyl)benzotriazole.
Chemical Property Profile of 2-(Phenylsulfanylmethyl)benzotriazole
Property Insights of 2-(Phenylsulfanylmethyl)benzotriazole
The XLogP value of 3.1811 indicates that 2-(Phenylsulfanylmethyl)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, 2-(Phenylsulfanylmethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylsulfanylmethyl)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 2-(Phenylsulfanylmethyl)benzotriazole?
The CAS number of 2-(Phenylsulfanylmethyl)benzotriazole is 300679-80-5.
What is the molecular formula of 2-(Phenylsulfanylmethyl)benzotriazole?
The molecular formula of 2-(Phenylsulfanylmethyl)benzotriazole is C13H11N3S.
What is the molecular weight of 2-(Phenylsulfanylmethyl)benzotriazole?
The molecular weight of 2-(Phenylsulfanylmethyl)benzotriazole is 241.07 g/mol.
Where can I buy 2-(Phenylsulfanylmethyl)benzotriazole?
You can request a quote for 2-(Phenylsulfanylmethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfanylmethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfanylmethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.