4-Methoxybenzyl thiocyanate
TL;DR: 4-Methoxybenzyl thiocyanate (CAS 19927-28-7) 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-methoxyphenyl)methyl thiocyanate
Also Known As: 4-Methoxybenzyl thiocyanate, p-Methoxybenzyl thiocyanate, (4-Methoxybenzyl) thiocyanate, 4-Methoxybenzyl isothiocyanate, (4-methoxyphenyl)methyl thiocyanate
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.40948 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 275.57516 |
Chemical Identifiers
| CAS Number | 19927-28-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC#N |
Product Overview
4-Methoxybenzyl thiocyanate (CAS 19927-28-7), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: (4-methoxyphenyl)methyl thiocyanate.
Chemical Property Profile of 4-Methoxybenzyl thiocyanate
Property Insights of 4-Methoxybenzyl thiocyanate
The XLogP value of 2.40948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzyl thiocyanate. With a topological polar surface area (TPSA) of 33.02 Ų, 4-Methoxybenzyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzyl thiocyanate 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 4-Methoxybenzyl thiocyanate?
The CAS number of 4-Methoxybenzyl thiocyanate is 19927-28-7.
What is the molecular formula of 4-Methoxybenzyl thiocyanate?
The molecular formula of 4-Methoxybenzyl thiocyanate is C9H9NOS.
What is the molecular weight of 4-Methoxybenzyl thiocyanate?
The molecular weight of 4-Methoxybenzyl thiocyanate is 179.04 g/mol.
Where can I buy 4-Methoxybenzyl thiocyanate?
You can request a quote for 4-Methoxybenzyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.