Cyclohexanecarbamic acid, thio-, S-ethyl ester
TL;DR: Cyclohexanecarbamic acid, thio-, S-ethyl ester (CAS 53660-19-8) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-cyclohexylcarbamothioate
Also Known As: Rhonite, Ronite, Rhonite (herbicide), S-ethyl N-cyclohexylcarbamothioate, Ethyl thiolcyclohexanecarbamate
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| Solubility | 14.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 53660-19-8 |
|---|---|
| SMILES | CCSC(=O)NC1CCCCC1 |
| InChIKey | PUNUCLJJWUUKFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarbamic acid, thio-, S-ethyl ester (CAS 53660-19-8), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: S-ethyl N-cyclohexylcarbamothioate.
Chemical Property Profile of Cyclohexanecarbamic acid, thio-, S-ethyl ester
Property Insights of Cyclohexanecarbamic acid, thio-, S-ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarbamic acid, thio-, S-ethyl ester. With a topological polar surface area (TPSA) of 54.4 Ų, Cyclohexanecarbamic acid, thio-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarbamic acid, thio-, S-ethyl 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 Cyclohexanecarbamic acid, thio-, S-ethyl ester?
The CAS number of Cyclohexanecarbamic acid, thio-, S-ethyl ester is 53660-19-8.
What is the molecular formula of Cyclohexanecarbamic acid, thio-, S-ethyl ester?
The molecular formula of Cyclohexanecarbamic acid, thio-, S-ethyl ester is C9H17NOS.
What is the molecular weight of Cyclohexanecarbamic acid, thio-, S-ethyl ester?
The molecular weight of Cyclohexanecarbamic acid, thio-, S-ethyl ester is 187.10 g/mol.
Where can I buy Cyclohexanecarbamic acid, thio-, S-ethyl ester?
You can request a quote for Cyclohexanecarbamic acid, thio-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbamic acid, thio-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbamic acid, thio-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.