6-Thiocyanato-thymol
TL;DR: 6-Thiocyanato-thymol (CAS 6074-31-3) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate
Also Known As: Thymol thiocyanate, 6-Thiocyanato-thymol, Thiocyanic acid, 5-hydroxycarvacryl ester, 5-Hydroxycarvacryl thiocyanate, 4-hydroxy-5-isopropyl-2-methylphenyl thiocyanate
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6074-31-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1SC#N)C(C)C)O |
| InChIKey | JCBPZRGUDJXNCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Thiocyanato-thymol (CAS 6074-31-3), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: (4-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate.
Chemical Property Profile of 6-Thiocyanato-thymol
Property Insights of 6-Thiocyanato-thymol
The XLogP value of 3.9 indicates that 6-Thiocyanato-thymol 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 6-Thiocyanato-thymol. Following Lipinski's Rule of Five, 6-Thiocyanato-thymol 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 6-Thiocyanato-thymol?
The CAS number of 6-Thiocyanato-thymol is 6074-31-3.
What is the molecular formula of 6-Thiocyanato-thymol?
The molecular formula of 6-Thiocyanato-thymol is C11H13NOS.
What is the molecular weight of 6-Thiocyanato-thymol?
The molecular weight of 6-Thiocyanato-thymol is 207.07 g/mol.
Where can I buy 6-Thiocyanato-thymol?
You can request a quote for 6-Thiocyanato-thymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thiocyanato-thymol?
Yes, KEHONG BIO provides custom synthesis services for 6-Thiocyanato-thymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.