2,6-Ditert-butyl-4-isothiocyanatophenol
TL;DR: 2,6-Ditert-butyl-4-isothiocyanatophenol (CAS 198066-67-0) is a chemical compound with molecular formula C15H21NOS and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-isothiocyanatophenol
Also Known As: 2,6-ditert-butyl-4-isothiocyanatophenol, 4-isothiocyanato-2,6-ditert-butyl-phenol, 3,5-di-tert-butyl-4-hydroxyphenyl isothiocyanate
| Molecular Formula | C15H21NOS |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 4.7215 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.1344 |
| Heavy Atoms | 18 |
| Complexity | 465.2005 |
Chemical Identifiers
| CAS Number | 198066-67-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=C=S |
Product Overview
2,6-Ditert-butyl-4-isothiocyanatophenol (CAS 198066-67-0), with molecular formula C15H21NOS and molecular weight 263.13 g/mol. IUPAC: 2,6-ditert-butyl-4-isothiocyanatophenol.
Chemical Property Profile of 2,6-Ditert-butyl-4-isothiocyanatophenol
Property Insights of 2,6-Ditert-butyl-4-isothiocyanatophenol
The XLogP value of 4.7215 indicates that 2,6-Ditert-butyl-4-isothiocyanatophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 2,6-Ditert-butyl-4-isothiocyanatophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-isothiocyanatophenol has 1 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 2,6-Ditert-butyl-4-isothiocyanatophenol?
The CAS number of 2,6-Ditert-butyl-4-isothiocyanatophenol is 198066-67-0.
What is the molecular formula of 2,6-Ditert-butyl-4-isothiocyanatophenol?
The molecular formula of 2,6-Ditert-butyl-4-isothiocyanatophenol is C15H21NOS.
What is the molecular weight of 2,6-Ditert-butyl-4-isothiocyanatophenol?
The molecular weight of 2,6-Ditert-butyl-4-isothiocyanatophenol is 263.13 g/mol.
Where can I buy 2,6-Ditert-butyl-4-isothiocyanatophenol?
You can request a quote for 2,6-Ditert-butyl-4-isothiocyanatophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Ditert-butyl-4-isothiocyanatophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-isothiocyanatophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.