Thiocarbanilic acid, S-cyclohexyl ester
TL;DR: Thiocarbanilic acid, S-cyclohexyl ester (CAS 10058-41-0) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-cyclohexyl N-phenylcarbamothioate
Also Known As: s-cyclohexyl phenylcarbamothioate, S-cyclohexyl N-phenylcarbamothioate, 1-Cyclohexylsulfanyl-n-phenyl-formamide, THIOCARBANILIC ACID, S-CYCLOHEXYL ESTER, 1-(cyclohexylsulfanyl)-N-phenylformamide
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 10058-41-0 |
|---|---|
| SMILES | C1CCC(CC1)SC(=O)NC2=CC=CC=C2 |
| InChIKey | CRHJWMVJRUJZQI-UHFFFAOYSA-N |
Product Overview
Thiocarbanilic acid, S-cyclohexyl ester (CAS 10058-41-0), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: S-cyclohexyl N-phenylcarbamothioate.
Chemical Property Profile of Thiocarbanilic acid, S-cyclohexyl ester
Property Insights of Thiocarbanilic acid, S-cyclohexyl ester
The XLogP value of 3.9 indicates that Thiocarbanilic acid, S-cyclohexyl 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, Thiocarbanilic acid, S-cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocarbanilic acid, S-cyclohexyl 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 Thiocarbanilic acid, S-cyclohexyl ester?
The CAS number of Thiocarbanilic acid, S-cyclohexyl ester is 10058-41-0.
What is the molecular formula of Thiocarbanilic acid, S-cyclohexyl ester?
The molecular formula of Thiocarbanilic acid, S-cyclohexyl ester is C13H17NOS.
What is the molecular weight of Thiocarbanilic acid, S-cyclohexyl ester?
The molecular weight of Thiocarbanilic acid, S-cyclohexyl ester is 235.10 g/mol.
Where can I buy Thiocarbanilic acid, S-cyclohexyl ester?
You can request a quote for Thiocarbanilic acid, S-cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarbanilic acid, S-cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocarbanilic acid, S-cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.