6-Thiocyanocarvacrol
TL;DR: 6-Thiocyanocarvacrol (CAS 34523-01-8) 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.
(3-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate
Also Known As: 6-Thiocyanocarvacrol, Dansyl fluoride, (3-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate, 3-Hydroxy-2-methyl-5-(propan-2-yl)phenyl thiocyanate
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 3.6 |
| 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 | 34523-01-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1SC#N)C(C)C)O |
| InChIKey | FBRMJXLWRZWXLK-UHFFFAOYSA-N |
Product Overview
6-Thiocyanocarvacrol (CAS 34523-01-8), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: (3-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate.
Chemical Property Profile of 6-Thiocyanocarvacrol
Property Insights of 6-Thiocyanocarvacrol
The XLogP value of 3.6 indicates that 6-Thiocyanocarvacrol 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-Thiocyanocarvacrol. Following Lipinski's Rule of Five, 6-Thiocyanocarvacrol 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-Thiocyanocarvacrol?
The CAS number of 6-Thiocyanocarvacrol is 34523-01-8.
What is the molecular formula of 6-Thiocyanocarvacrol?
The molecular formula of 6-Thiocyanocarvacrol is C11H13NOS.
What is the molecular weight of 6-Thiocyanocarvacrol?
The molecular weight of 6-Thiocyanocarvacrol is 207.07 g/mol.
Where can I buy 6-Thiocyanocarvacrol?
You can request a quote for 6-Thiocyanocarvacrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thiocyanocarvacrol?
Yes, KEHONG BIO provides custom synthesis services for 6-Thiocyanocarvacrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.