Thiocyanic acid, 4-methoxyphenyl ester
TL;DR: Thiocyanic acid, 4-methoxyphenyl ester (CAS 5285-90-5) 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-methoxyphenyl) thiocyanate
Also Known As: Thiocyanic acid, 4-methoxyphenyl ester, p-Anisyl thiocyanate, (4-methoxyphenyl) thiocyanate, 4-methoxyphenyl thiocyanate, [(4-METHOXYPHENYL)SULFANYL]FORMONITRILE
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.26838 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 262.4157 |
Chemical Identifiers
| CAS Number | 5285-90-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC#N |
Product Overview
Thiocyanic acid, 4-methoxyphenyl ester (CAS 5285-90-5), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: (4-methoxyphenyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-methoxyphenyl ester
Property Insights of Thiocyanic acid, 4-methoxyphenyl ester
The XLogP value of 2.26838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 4-methoxyphenyl ester. With a topological polar surface area (TPSA) of 33.02 Ų, Thiocyanic acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 4-methoxyphenyl ester has 0 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 Thiocyanic acid, 4-methoxyphenyl ester?
The CAS number of Thiocyanic acid, 4-methoxyphenyl ester is 5285-90-5.
What is the molecular formula of Thiocyanic acid, 4-methoxyphenyl ester?
The molecular formula of Thiocyanic acid, 4-methoxyphenyl ester is C8H7NOS.
What is the molecular weight of Thiocyanic acid, 4-methoxyphenyl ester?
The molecular weight of Thiocyanic acid, 4-methoxyphenyl ester is 165.02 g/mol.
Where can I buy Thiocyanic acid, 4-methoxyphenyl ester?
You can request a quote for Thiocyanic acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.