S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate
TL;DR: S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate (CAS 108923-27-9) is a chemical compound with molecular formula C13H8Cl3NOS and molecular weight 330.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-(3,4-dichlorophenyl)carbamothioate
Also Known As: S-(4-CHLOROPHENYL) N-(3,4-DICHLOROPHENYL)THIOCARBAMATE, S-(4-chlorophenyl) N-(3,4-dichlorophenyl)carbamothioate, 668-674-4, RefChem:884148
| Molecular Formula | C13H8Cl3NOS |
|---|---|
| Molecular Weight | 330.94 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.9392 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 108923-27-9 |
|---|---|
| SMILES | C1=CC(=CC=C1SC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl |
| InChIKey | GJFBRWHBAOSNMJ-UHFFFAOYSA-N |
Product Overview
S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate (CAS 108923-27-9), with molecular formula C13H8Cl3NOS and molecular weight 330.94 g/mol. IUPAC: S-(4-chlorophenyl) N-(3,4-dichlorophenyl)carbamothioate.
Chemical Property Profile of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate
Property Insights of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate
The XLogP value of 6.4 indicates that S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate 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-(3,4-dichlorophenyl)thiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate?
The CAS number of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate is 108923-27-9.
What is the molecular formula of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate?
The molecular formula of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate is C13H8Cl3NOS.
What is the molecular weight of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate?
The molecular weight of S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate is 330.94 g/mol.
Where can I buy S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate?
You can request a quote for S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate 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-(3,4-dichlorophenyl)thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) N-(3,4-dichlorophenyl)thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.