N-2-naphthylethanethioamide
TL;DR: N-2-naphthylethanethioamide (CAS 99988-93-9) is a chemical compound with molecular formula C12H11NS and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-naphthalen-2-ylethanethioamide
Also Known As: N-2-naphthylethanethioamide, thioacetic acid 2-naphthylamide, N-(2-naphthyl)ethanethioamide, N-Naphthalen-2-yl-thioacetamide, N-naphthalen-2-ylethanethioamide
| Molecular Formula | C12H11NS |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.06122 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 99988-93-9 |
|---|---|
| SMILES | CC(=S)NC1=CC2=CC=CC=C2C=C1 |
| InChIKey | NIZWXLJNRXYZBR-UHFFFAOYSA-N |
Product Overview
N-2-naphthylethanethioamide (CAS 99988-93-9), with molecular formula C12H11NS and molecular weight 201.06 g/mol. IUPAC: N-naphthalen-2-ylethanethioamide.
Chemical Property Profile of N-2-naphthylethanethioamide
Property Insights of N-2-naphthylethanethioamide
The XLogP value of 3.3 indicates that N-2-naphthylethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, N-2-naphthylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-naphthylethanethioamide has 1 hydrogen bond donor(s) and 1 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 N-2-naphthylethanethioamide?
The CAS number of N-2-naphthylethanethioamide is 99988-93-9.
What is the molecular formula of N-2-naphthylethanethioamide?
The molecular formula of N-2-naphthylethanethioamide is C12H11NS.
What is the molecular weight of N-2-naphthylethanethioamide?
The molecular weight of N-2-naphthylethanethioamide is 201.06 g/mol.
Where can I buy N-2-naphthylethanethioamide?
You can request a quote for N-2-naphthylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-naphthylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-2-naphthylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.