S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate
TL;DR: S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate (CAS 33688-98-1) 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)methyl] N,N-dimethylcarbamothioate
Also Known As: s-(4-chlorobenzyl) dimethylcarbamothioate, S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate, 2,5-Thiophenedione,dihydro-3-methyl, S-[(4-chlorophenyl)methyl] N,N-dimethylcarbamothioate, S-[(4-Chlorophenyl)methyl] dimethylcarbamothioate
| Molecular Formula | C10H12ClNOS |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0328 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 33688-98-1 |
|---|---|
| SMILES | CN(C)C(=O)SCC1=CC=C(C=C1)Cl |
| InChIKey | PXXCNDKRWHJYKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate (CAS 33688-98-1), with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol. IUPAC: S-[(4-chlorophenyl)methyl] N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate
Property Insights of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate. With a topological polar surface area (TPSA) of 45.6 Ų, S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate has 0 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-Chlorobenzyl)-N,N-dimethylthiocarbamate?
The CAS number of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate is 33688-98-1.
What is the molecular formula of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate?
The molecular formula of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate is C10H12ClNOS.
What is the molecular weight of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate?
The molecular weight of S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate is 229.03 g/mol.
Where can I buy S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate?
You can request a quote for S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.