2-(1-Naphthyl)-2-oxoethyl thiocyanate
TL;DR: 2-(1-Naphthyl)-2-oxoethyl thiocyanate (CAS 139679-35-9) is a chemical compound with molecular formula C13H9NOS and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-naphthalen-1-yl-2-oxoethyl) thiocyanate
Also Known As: 2-(1-naphthyl)-2-oxoethyl thiocyanate, 1-(Naphthalen-1-yl)-2-thiocyanatoethanone, (2-naphthalen-1-yl-2-oxoethyl) thiocyanate, 2-(cyanosulfanyl)-1-(naphthalen-1-yl)ethan-1-one, (2-naphthyl-2-oxoethyl)thiocarbonitrile
| Molecular Formula | C13H9NOS |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 3.23678 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04048 |
| Heavy Atoms | 16 |
| Complexity | 566.1495 |
Chemical Identifiers
| CAS Number | 139679-35-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)CSC#N |
Product Overview
2-(1-Naphthyl)-2-oxoethyl thiocyanate (CAS 139679-35-9), with molecular formula C13H9NOS and molecular weight 227.04 g/mol. IUPAC: (2-naphthalen-1-yl-2-oxoethyl) thiocyanate.
Chemical Property Profile of 2-(1-Naphthyl)-2-oxoethyl thiocyanate
Property Insights of 2-(1-Naphthyl)-2-oxoethyl thiocyanate
The XLogP value of 3.23678 indicates that 2-(1-Naphthyl)-2-oxoethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(1-Naphthyl)-2-oxoethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Naphthyl)-2-oxoethyl 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 2-(1-Naphthyl)-2-oxoethyl thiocyanate?
The CAS number of 2-(1-Naphthyl)-2-oxoethyl thiocyanate is 139679-35-9.
What is the molecular formula of 2-(1-Naphthyl)-2-oxoethyl thiocyanate?
The molecular formula of 2-(1-Naphthyl)-2-oxoethyl thiocyanate is C13H9NOS.
What is the molecular weight of 2-(1-Naphthyl)-2-oxoethyl thiocyanate?
The molecular weight of 2-(1-Naphthyl)-2-oxoethyl thiocyanate is 227.04 g/mol.
Where can I buy 2-(1-Naphthyl)-2-oxoethyl thiocyanate?
You can request a quote for 2-(1-Naphthyl)-2-oxoethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Naphthyl)-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Naphthyl)-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.