Carbamothioic acid, propyl-, S-2-naphthalenyl ester
TL;DR: Carbamothioic acid, propyl-, S-2-naphthalenyl ester (CAS 85966-65-0) is a chemical compound with molecular formula C14H15NOS and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-naphthalen-2-yl N-propylcarbamothioate
Also Known As: S-naphthalen-2-yl N-propylcarbamothioate, Carbamothioic acid, propyl-, S-2-naphthalenyl ester, 1-naphthalen-2-ylsulfanyl-N-propyl-formamide, S-Naphthalen-2-yl hydrogen propylcarbonimidothioate, S-(Naphthalen-2-yl) hydrogen propylcarbonimidothioate
| Molecular Formula | C14H15NOS |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08743 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 85966-65-0 |
|---|---|
| SMILES | CCCNC(=O)SC1=CC2=CC=CC=C2C=C1 |
| InChIKey | NZRLNKZLIRFCOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, propyl-, S-2-naphthalenyl ester (CAS 85966-65-0), with molecular formula C14H15NOS and molecular weight 245.09 g/mol. IUPAC: S-naphthalen-2-yl N-propylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, propyl-, S-2-naphthalenyl ester
Property Insights of Carbamothioic acid, propyl-, S-2-naphthalenyl ester
The XLogP value of 4.2 indicates that Carbamothioic acid, propyl-, S-2-naphthalenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, propyl-, S-2-naphthalenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, propyl-, S-2-naphthalenyl ester 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 Carbamothioic acid, propyl-, S-2-naphthalenyl ester?
The CAS number of Carbamothioic acid, propyl-, S-2-naphthalenyl ester is 85966-65-0.
What is the molecular formula of Carbamothioic acid, propyl-, S-2-naphthalenyl ester?
The molecular formula of Carbamothioic acid, propyl-, S-2-naphthalenyl ester is C14H15NOS.
What is the molecular weight of Carbamothioic acid, propyl-, S-2-naphthalenyl ester?
The molecular weight of Carbamothioic acid, propyl-, S-2-naphthalenyl ester is 245.09 g/mol.
Where can I buy Carbamothioic acid, propyl-, S-2-naphthalenyl ester?
You can request a quote for Carbamothioic acid, propyl-, S-2-naphthalenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, propyl-, S-2-naphthalenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, propyl-, S-2-naphthalenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.