S-(4-Chlorophenyl) cyclohexylcarbamothioate
TL;DR: S-(4-Chlorophenyl) cyclohexylcarbamothioate (CAS 72024-58-9) is a chemical compound with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-cyclohexylcarbamothioate
Also Known As: S-(4-Chlorophenyl) cyclohexylcarbamothioate, S-(4-chlorophenyl) N-cyclohexylcarbamothioate, J3.603.771G, 1-[(4-chlorophenyl)sulfanyl]-N-cyclohexylformamide, Cyclohexylthiocarbamic acid S-(4-chlorophenyl) ester
| Molecular Formula | C13H16ClNOS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06412 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 72024-58-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)SC2=CC=C(C=C2)Cl |
| InChIKey | PBLJMEYPQQDGOA-UHFFFAOYSA-N |
Product Overview
S-(4-Chlorophenyl) cyclohexylcarbamothioate (CAS 72024-58-9), with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol. IUPAC: S-(4-chlorophenyl) N-cyclohexylcarbamothioate.
Chemical Property Profile of S-(4-Chlorophenyl) cyclohexylcarbamothioate
Property Insights of S-(4-Chlorophenyl) cyclohexylcarbamothioate
The XLogP value of 4.5 indicates that S-(4-Chlorophenyl) cyclohexylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-(4-Chlorophenyl) cyclohexylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) cyclohexylcarbamothioate 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 S-(4-Chlorophenyl) cyclohexylcarbamothioate?
The CAS number of S-(4-Chlorophenyl) cyclohexylcarbamothioate is 72024-58-9.
What is the molecular formula of S-(4-Chlorophenyl) cyclohexylcarbamothioate?
The molecular formula of S-(4-Chlorophenyl) cyclohexylcarbamothioate is C13H16ClNOS.
What is the molecular weight of S-(4-Chlorophenyl) cyclohexylcarbamothioate?
The molecular weight of S-(4-Chlorophenyl) cyclohexylcarbamothioate is 269.06 g/mol.
Where can I buy S-(4-Chlorophenyl) cyclohexylcarbamothioate?
You can request a quote for S-(4-Chlorophenyl) cyclohexylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorophenyl) cyclohexylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) cyclohexylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.