4-Hydroxy-2,3-dimethylphenyl thiocyanate
TL;DR: 4-Hydroxy-2,3-dimethylphenyl thiocyanate (CAS 66800-25-7) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2,3-dimethylphenyl) thiocyanate
Also Known As: 4-hydroxy-2,3-dimethylphenyl thiocyanate, (4-hydroxy-2,3-dimethylphenyl) thiocyanate, 2,3-Dimethyl-4-hydroxyphenyl thiocyanate, J3.618.105B, [(4-HYDROXY-2,3-DIMETHYLPHENYL)SULFANYL]FORMONITRILE
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 66800-25-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)SC#N)O |
| InChIKey | MEAPBUJZGUYSGO-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-2,3-dimethylphenyl thiocyanate (CAS 66800-25-7), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: (4-hydroxy-2,3-dimethylphenyl) thiocyanate.
Chemical Property Profile of 4-Hydroxy-2,3-dimethylphenyl thiocyanate
Property Insights of 4-Hydroxy-2,3-dimethylphenyl thiocyanate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,3-dimethylphenyl thiocyanate. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2,3-dimethylphenyl thiocyanate. Following Lipinski's Rule of Five, 4-Hydroxy-2,3-dimethylphenyl 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 4-Hydroxy-2,3-dimethylphenyl thiocyanate?
The CAS number of 4-Hydroxy-2,3-dimethylphenyl thiocyanate is 66800-25-7.
What is the molecular formula of 4-Hydroxy-2,3-dimethylphenyl thiocyanate?
The molecular formula of 4-Hydroxy-2,3-dimethylphenyl thiocyanate is C9H9NOS.
What is the molecular weight of 4-Hydroxy-2,3-dimethylphenyl thiocyanate?
The molecular weight of 4-Hydroxy-2,3-dimethylphenyl thiocyanate is 179.04 g/mol.
Where can I buy 4-Hydroxy-2,3-dimethylphenyl thiocyanate?
You can request a quote for 4-Hydroxy-2,3-dimethylphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2,3-dimethylphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2,3-dimethylphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.