1-Naphthalenecarbothioic acid, O-ethyl ester
TL;DR: 1-Naphthalenecarbothioic acid, O-ethyl ester (CAS 58303-26-7) is a chemical compound with molecular formula C13H12OS and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl naphthalene-1-carbothioate
Also Known As: 1-Thionaphthoic acid ethyl ester, ethyl naphthalene-1-carbothioate, o-Ethyl 1-naphthalenecarbothioate, O-ethyl naphthalene-1-carbothioate, o-Ethyl 1-naphthalenecarbothioate #
| Molecular Formula | C13H12OS |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06088 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58303-26-7 |
|---|---|
| SMILES | CCOC(=S)C1=CC=CC2=CC=CC=C21 |
| InChIKey | IMSIYJBXAHWVMY-UHFFFAOYSA-N |
Product Overview
1-Naphthalenecarbothioic acid, O-ethyl ester (CAS 58303-26-7), with molecular formula C13H12OS and molecular weight 216.06 g/mol. IUPAC: O-ethyl naphthalene-1-carbothioate.
Chemical Property Profile of 1-Naphthalenecarbothioic acid, O-ethyl ester
Property Insights of 1-Naphthalenecarbothioic acid, O-ethyl ester
The XLogP value of 4.0 indicates that 1-Naphthalenecarbothioic acid, O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, 1-Naphthalenecarbothioic acid, O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbothioic acid, O-ethyl ester 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 1-Naphthalenecarbothioic acid, O-ethyl ester?
The CAS number of 1-Naphthalenecarbothioic acid, O-ethyl ester is 58303-26-7.
What is the molecular formula of 1-Naphthalenecarbothioic acid, O-ethyl ester?
The molecular formula of 1-Naphthalenecarbothioic acid, O-ethyl ester is C13H12OS.
What is the molecular weight of 1-Naphthalenecarbothioic acid, O-ethyl ester?
The molecular weight of 1-Naphthalenecarbothioic acid, O-ethyl ester is 216.06 g/mol.
Where can I buy 1-Naphthalenecarbothioic acid, O-ethyl ester?
You can request a quote for 1-Naphthalenecarbothioic acid, O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarbothioic acid, O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbothioic acid, O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.