![2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol structure](/static/products/1121/112163-10-7.webp)
2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol
TL;DR: 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol (CAS 112163-10-7) is a chemical compound with molecular formula C21H33NOS and molecular weight 347.22827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butyl-N-cyclohexyl-4-hydroxybenzenecarbothioamide
Also Known As: BAS 00619732, 3,5-Di-tert-butyl-N-cyclohexyl-4-hydroxy-thiobenzamide, 3,5-di-tert-butyl-N-cyclohexyl-4-hydroxybenzothioamide, 2,6-bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol, 2,6-ditert-butyl-4-[(cyclohexylamino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
Technical Specifications
| Molecular Formula | C21H33NOS |
| Molecular Weight | 347.22827 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.22827 Da |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2CCCCC2 |
| InChIKey | HAFHBGQTQVLWQB-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol
Property Insights of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol
The XLogP value of 6.6 indicates that 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol. Following Lipinski's Rule of Five, 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol?
The CAS number of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol is 112163-10-7.
What is the molecular formula of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol?
The molecular formula of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol is C21H33NOS.
What is the molecular weight of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol?
The molecular weight of 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol is 347.22827 g/mol.
Where can I buy 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol?
You can request a quote for 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol?
Yes, CoreyChem provides custom synthesis services for 2,6-Bis(tert-butyl)-4-[(cyclohexylamino)thioxomethyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.