2-Naphthylthiolacetate
TL;DR: 2-Naphthylthiolacetate (CAS 831-23-2) is a chemical compound with molecular formula C12H10OS and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-naphthalen-2-yl ethanethioate
Also Known As: 2-Naphthylthiolacetate, 2-Thionaphthyl acetate, 2-Naphthylthiol acetate, beta-Thionaphthyl acetate, b-thionaphthyl acetate
| Molecular Formula | C12H10OS |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.04524 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 831-23-2 |
|---|---|
| SMILES | CC(=O)SC1=CC2=CC=CC=C2C=C1 |
| InChIKey | NMFMUXYHGNUOAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthylthiolacetate (CAS 831-23-2), with molecular formula C12H10OS and molecular weight 202.05 g/mol. IUPAC: S-naphthalen-2-yl ethanethioate.
Chemical Property Profile of 2-Naphthylthiolacetate
Property Insights of 2-Naphthylthiolacetate
The XLogP value of 3.8 indicates that 2-Naphthylthiolacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Naphthylthiolacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthylthiolacetate 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-Naphthylthiolacetate?
The CAS number of 2-Naphthylthiolacetate is 831-23-2.
What is the molecular formula of 2-Naphthylthiolacetate?
The molecular formula of 2-Naphthylthiolacetate is C12H10OS.
What is the molecular weight of 2-Naphthylthiolacetate?
The molecular weight of 2-Naphthylthiolacetate is 202.05 g/mol.
Where can I buy 2-Naphthylthiolacetate?
You can request a quote for 2-Naphthylthiolacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthylthiolacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthylthiolacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.