3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate
TL;DR: 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate (CAS 5185-56-8) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxy-5-methylphenyl) thiocyanate
Also Known As: 3-tert-butyl-4-hydroxy-5-methylphenyl thiocyanate, 2-methyl-6-tert-butyl-4-thiocyanato-phenol, 2-(tert-butyl)-6-methyl-4-thiocyanatophenol, (3-tert-butyl-4-hydroxy-5-methylphenyl) thiocyanate
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5185-56-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)SC#N |
| InChIKey | RYWPHPITXKKLJE-UHFFFAOYSA-N |
Product Overview
3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate (CAS 5185-56-8), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: (3-tert-butyl-4-hydroxy-5-methylphenyl) thiocyanate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate
Property Insights of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate
The XLogP value of 4.2 indicates that 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate 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 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate?
The CAS number of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate is 5185-56-8.
What is the molecular formula of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate?
The molecular formula of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate is C12H15NOS.
What is the molecular weight of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate?
The molecular weight of 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate is 221.09 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate?
You can request a quote for 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxy-5-methylphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.