2-Methoxyphenyl Isothiocyanate
TL;DR: 2-Methoxyphenyl Isothiocyanate (CAS 3288-04-8) 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.
1-isothiocyanato-2-methoxybenzene
Also Known As: 2-Methoxyphenyl isothiocyanate, 1-Isothiocyanato-2-methoxybenzene, o-Methoxyphenyl isothiocyanate, 2-METHOXYPHENylisoTHIOCYANATE, Benzene, 1-isothiocyanato-2-methoxy-
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 3288-04-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N=C=S |
| InChIKey | QKAOOWJWWKWWOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyphenyl Isothiocyanate (CAS 3288-04-8), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 1-isothiocyanato-2-methoxybenzene.
Chemical Property Profile of 2-Methoxyphenyl Isothiocyanate
Property Insights of 2-Methoxyphenyl Isothiocyanate
The XLogP value of 3.3 indicates that 2-Methoxyphenyl Isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 2-Methoxyphenyl Isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyphenyl Isothiocyanate 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 2-Methoxyphenyl Isothiocyanate?
The CAS number of 2-Methoxyphenyl Isothiocyanate is 3288-04-8.
What is the molecular formula of 2-Methoxyphenyl Isothiocyanate?
The molecular formula of 2-Methoxyphenyl Isothiocyanate is C8H7NOS.
What is the molecular weight of 2-Methoxyphenyl Isothiocyanate?
The molecular weight of 2-Methoxyphenyl Isothiocyanate is 165.02 g/mol.
Where can I buy 2-Methoxyphenyl Isothiocyanate?
You can request a quote for 2-Methoxyphenyl Isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyphenyl Isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyphenyl Isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.