S-(4-Chlorophenyl) N-methylthiocarbamate
TL;DR: S-(4-Chlorophenyl) N-methylthiocarbamate (CAS 34844-27-4) is a chemical compound with molecular formula C8H8ClNOS and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-methylcarbamothioate
Also Known As: s-(4-chlorophenyl) methylcarbamothioate, 1-[(4-chlorophenyl)sulfanyl]-N-methylformamide, s-(4-chlorophenyl)n-methylthiocarbamate, S-(4-CHLOROPHENYL) N-METHYLTHIOCARBAMATE, S-(4-chlorophenyl) N-methylcarbamothioate
| Molecular Formula | C8H8ClNOS |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.00151 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 34844-27-4 |
|---|---|
| SMILES | CNC(=O)SC1=CC=C(C=C1)Cl |
| InChIKey | WJACIPICDGLBKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Chlorophenyl) N-methylthiocarbamate (CAS 34844-27-4), with molecular formula C8H8ClNOS and molecular weight 201.00 g/mol. IUPAC: S-(4-chlorophenyl) N-methylcarbamothioate.
Chemical Property Profile of S-(4-Chlorophenyl) N-methylthiocarbamate
Property Insights of S-(4-Chlorophenyl) N-methylthiocarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-Chlorophenyl) N-methylthiocarbamate. With a topological polar surface area (TPSA) of 54.4 Ų, S-(4-Chlorophenyl) N-methylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) N-methylthiocarbamate 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-methylthiocarbamate?
The CAS number of S-(4-Chlorophenyl) N-methylthiocarbamate is 34844-27-4.
What is the molecular formula of S-(4-Chlorophenyl) N-methylthiocarbamate?
The molecular formula of S-(4-Chlorophenyl) N-methylthiocarbamate is C8H8ClNOS.
What is the molecular weight of S-(4-Chlorophenyl) N-methylthiocarbamate?
The molecular weight of S-(4-Chlorophenyl) N-methylthiocarbamate is 201.00 g/mol.
Where can I buy S-(4-Chlorophenyl) N-methylthiocarbamate?
You can request a quote for S-(4-Chlorophenyl) N-methylthiocarbamate 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-methylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) N-methylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.