S-naphthalen-2-yl N-butylcarbamothioate
TL;DR: S-naphthalen-2-yl N-butylcarbamothioate (CAS 85966-67-2) is a chemical compound with molecular formula C15H17NOS and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-naphthalen-2-yl N-butylcarbamothioate
Also Known As: S-naphthalen-2-yl N-butylcarbamothioate, Carbamothioic acid, butyl-, S-2-naphthalenyl ester, S-Naphthalen-2-yl hydrogen butylcarbonimidothioate, S-(Naphthalen-2-yl) hydrogen butylcarbonimidothioate
| Molecular Formula | C15H17NOS |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.1031 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 85966-67-2 |
|---|---|
| SMILES | CCCCNC(=O)SC1=CC2=CC=CC=C2C=C1 |
| InChIKey | PTAOYUTWWFSURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-naphthalen-2-yl N-butylcarbamothioate (CAS 85966-67-2), with molecular formula C15H17NOS and molecular weight 259.10 g/mol. IUPAC: S-naphthalen-2-yl N-butylcarbamothioate.
Chemical Property Profile of S-naphthalen-2-yl N-butylcarbamothioate
Property Insights of S-naphthalen-2-yl N-butylcarbamothioate
The XLogP value of 4.5 indicates that S-naphthalen-2-yl N-butylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-naphthalen-2-yl N-butylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-naphthalen-2-yl N-butylcarbamothioate has 1 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 S-naphthalen-2-yl N-butylcarbamothioate?
The CAS number of S-naphthalen-2-yl N-butylcarbamothioate is 85966-67-2.
What is the molecular formula of S-naphthalen-2-yl N-butylcarbamothioate?
The molecular formula of S-naphthalen-2-yl N-butylcarbamothioate is C15H17NOS.
What is the molecular weight of S-naphthalen-2-yl N-butylcarbamothioate?
The molecular weight of S-naphthalen-2-yl N-butylcarbamothioate is 259.10 g/mol.
Where can I buy S-naphthalen-2-yl N-butylcarbamothioate?
You can request a quote for S-naphthalen-2-yl N-butylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-naphthalen-2-yl N-butylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-naphthalen-2-yl N-butylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.