S-(4-chlorophenyl) N-propylcarbamothioate
TL;DR: S-(4-chlorophenyl) N-propylcarbamothioate (CAS 14496-61-8) is a chemical compound with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-propylcarbamothioate
Also Known As: S-(4-chlorophenyl) N-propylcarbamothioate, S-(4-Chlorophenyl) propylcarbamothioate, s-(4-chlorophenyl)n-(propyl)thiocarbamate, 1-[(4-chlorophenyl)sulfanyl]-N-propylformamide, S-(4-CHLOROPHENYL) N-(PROPYL)THIOCARBAMATE
| Molecular Formula | C10H12ClNOS |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0328 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 14496-61-8 |
|---|---|
| SMILES | CCCNC(=O)SC1=CC=C(C=C1)Cl |
| InChIKey | HPSKSCGIPZHFLE-UHFFFAOYSA-N |
Product Overview
S-(4-chlorophenyl) N-propylcarbamothioate (CAS 14496-61-8), with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol. IUPAC: S-(4-chlorophenyl) N-propylcarbamothioate.
Chemical Property Profile of S-(4-chlorophenyl) N-propylcarbamothioate
Property Insights of S-(4-chlorophenyl) N-propylcarbamothioate
The XLogP value of 3.6 indicates that S-(4-chlorophenyl) N-propylcarbamothioate 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) N-propylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) N-propylcarbamothioate 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) N-propylcarbamothioate?
The CAS number of S-(4-chlorophenyl) N-propylcarbamothioate is 14496-61-8.
What is the molecular formula of S-(4-chlorophenyl) N-propylcarbamothioate?
The molecular formula of S-(4-chlorophenyl) N-propylcarbamothioate is C10H12ClNOS.
What is the molecular weight of S-(4-chlorophenyl) N-propylcarbamothioate?
The molecular weight of S-(4-chlorophenyl) N-propylcarbamothioate is 229.03 g/mol.
Where can I buy S-(4-chlorophenyl) N-propylcarbamothioate?
You can request a quote for S-(4-chlorophenyl) N-propylcarbamothioate 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) N-propylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) N-propylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.