![4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol structure](/static/products/3006/300680-57-3.webp)
4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol
TL;DR: 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol (CAS 300680-57-3) is a chemical compound with molecular formula C22H27N3OS2 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate
Also Known As: 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol, benzotriazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxy-benzenecarbodithioate, benzotriazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate, 4-(benzotriazol-1-ylmethylsulfanyl-sulfanyl-methylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one, 4-[benzotriazol-1-ylmethylsulfanyl(sulfanyl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
| Molecular Formula | C22H27N3OS2 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 5.7983 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.15955 |
| Heavy Atoms | 28 |
| Complexity | 991.1684 |
Chemical Identifiers
| CAS Number | 300680-57-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)SCN2C3=CC=CC=C3N=N2 |
Product Overview
4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol (CAS 300680-57-3), with molecular formula C22H27N3OS2 and molecular weight 413.16 g/mol. IUPAC: benzotriazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate.
Chemical Property Profile of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol
Property Insights of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol
The XLogP value of 5.7983 indicates that 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol?
The CAS number of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol is 300680-57-3.
What is the molecular formula of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol?
The molecular formula of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol is C22H27N3OS2.
What is the molecular weight of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol?
The molecular weight of 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol is 413.16 g/mol.
Where can I buy 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol?
You can request a quote for 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)sulfanylcarbothioyl]-2,6-di-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.