(2-Methylnaphthalen-1-yl)methyl thiocyanate
TL;DR: (2-Methylnaphthalen-1-yl)methyl thiocyanate (CAS 17304-24-4) is a chemical compound with molecular formula C13H11NS and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylnaphthalen-1-yl)methyl thiocyanate
Also Known As: (2-methylnaphthalen-1-yl)methyl thiocyanate, KST-1A2004, 1,3-Benzenedimethanol,4-hydroxy-2,5,6-trimethyl, Thiocyanicacid, (2-methyl-1-naphthalenyl)methyl ester
| Molecular Formula | C13H11NS |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.06122 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 17304-24-4 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)CSC#N |
| InChIKey | CTKGDSSMFVAVRE-UHFFFAOYSA-N |
Product Overview
(2-Methylnaphthalen-1-yl)methyl thiocyanate (CAS 17304-24-4), with molecular formula C13H11NS and molecular weight 213.06 g/mol. IUPAC: (2-methylnaphthalen-1-yl)methyl thiocyanate.
Chemical Property Profile of (2-Methylnaphthalen-1-yl)methyl thiocyanate
Property Insights of (2-Methylnaphthalen-1-yl)methyl thiocyanate
The XLogP value of 4.4 indicates that (2-Methylnaphthalen-1-yl)methyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, (2-Methylnaphthalen-1-yl)methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylnaphthalen-1-yl)methyl thiocyanate has 0 hydrogen bond donor(s) and 2 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-Methylnaphthalen-1-yl)methyl thiocyanate?
The CAS number of (2-Methylnaphthalen-1-yl)methyl thiocyanate is 17304-24-4.
What is the molecular formula of (2-Methylnaphthalen-1-yl)methyl thiocyanate?
The molecular formula of (2-Methylnaphthalen-1-yl)methyl thiocyanate is C13H11NS.
What is the molecular weight of (2-Methylnaphthalen-1-yl)methyl thiocyanate?
The molecular weight of (2-Methylnaphthalen-1-yl)methyl thiocyanate is 213.06 g/mol.
Where can I buy (2-Methylnaphthalen-1-yl)methyl thiocyanate?
You can request a quote for (2-Methylnaphthalen-1-yl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylnaphthalen-1-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylnaphthalen-1-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.