乙基硫代氨基甲酸S-2-萘酯
TL;DR: 乙基硫代氨基甲酸S-2-萘酯 (CAS 85966-64-9) is a chemical compound with molecular formula C13H13NOS and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙基硫代氨基甲酸S-2-萘酯
S-naphthalen-2-yl N-ethylcarbamothioate
Also Known As: S-naphthalen-2-yl N-ethylcarbamothioate, Carbamothioic acid, ethyl-, S-2-naphthalenyl ester, N-ethyl-1-naphthalen-2-ylsulfanyl-formamide, S-Naphthalen-2-yl hydrogen ethylcarbonimidothioate, S-(Naphthalen-2-yl) hydrogen ethylcarbonimidothioate
| Molecular Formula | C13H13NOS |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0718 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 85966-64-9 |
|---|---|
| SMILES | CCNC(=O)SC1=CC2=CC=CC=C2C=C1 |
| InChIKey | VTSAGKKBFNMMQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基硫代氨基甲酸S-2-萘酯 (CAS 85966-64-9), with molecular formula C13H13NOS and molecular weight 231.07 g/mol. IUPAC: S-naphthalen-2-yl N-ethylcarbamothioate.
Chemical Property Profile of 乙基硫代氨基甲酸S-2-萘酯
Property Insights of 乙基硫代氨基甲酸S-2-萘酯
The XLogP value of 3.7 indicates that 乙基硫代氨基甲酸S-2-萘酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 乙基硫代氨基甲酸S-2-萘酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基硫代氨基甲酸S-2-萘酯 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 乙基硫代氨基甲酸S-2-萘酯?
The CAS number of 乙基硫代氨基甲酸S-2-萘酯 is 85966-64-9.
What is the molecular formula of 乙基硫代氨基甲酸S-2-萘酯?
The molecular formula of 乙基硫代氨基甲酸S-2-萘酯 is C13H13NOS.
What is the molecular weight of 乙基硫代氨基甲酸S-2-萘酯?
The molecular weight of 乙基硫代氨基甲酸S-2-萘酯 is 231.07 g/mol.
Where can I buy 乙基硫代氨基甲酸S-2-萘酯?
You can request a quote for 乙基硫代氨基甲酸S-2-萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基硫代氨基甲酸S-2-萘酯?
Yes, KEHONG BIO provides custom synthesis services for 乙基硫代氨基甲酸S-2-萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.