m-Cresol thiocyanate
TL;DR: m-Cresol thiocyanate (CAS 3774-54-7) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2-methylphenyl) thiocyanate
Also Known As: m-Cresol thiocyanate, 3-methyl-4-thiocyanatophenol, (4-hydroxy-2-methylphenyl) thiocyanate, 3-methyl4-thiocyanato-phenol, 3-methyl-4-thiocyanato-phenol
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 3774-54-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)SC#N |
| InChIKey | AKBUQNBHFALNTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Cresol thiocyanate (CAS 3774-54-7), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: (4-hydroxy-2-methylphenyl) thiocyanate.
Chemical Property Profile of m-Cresol thiocyanate
Property Insights of m-Cresol thiocyanate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Cresol thiocyanate. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Cresol thiocyanate. Following Lipinski's Rule of Five, m-Cresol 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 m-Cresol thiocyanate?
The CAS number of m-Cresol thiocyanate is 3774-54-7.
What is the molecular formula of m-Cresol thiocyanate?
The molecular formula of m-Cresol thiocyanate is C8H7NOS.
What is the molecular weight of m-Cresol thiocyanate?
The molecular weight of m-Cresol thiocyanate is 165.02 g/mol.
Where can I buy m-Cresol thiocyanate?
You can request a quote for m-Cresol thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Cresol thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for m-Cresol thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.