O-(4-methylphenyl) 4-chlorophenylthiocarbamate
TL;DR: O-(4-methylphenyl) 4-chlorophenylthiocarbamate (CAS 444794-39-2) is a chemical compound with molecular formula C14H12ClNOS and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylphenyl) N-(4-chlorophenyl)carbamothioate
Also Known As: O-(4-methylphenyl) 4-chlorophenylthiocarbamate, O-(4-methylphenyl) N-(4-chlorophenyl)carbamothioate, AJ-087/15497004
| Molecular Formula | C14H12ClNOS |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 4.42422 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0328 |
| Heavy Atoms | 18 |
| Complexity | 487.22537 |
Chemical Identifiers
| CAS Number | 444794-39-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
O-(4-methylphenyl) 4-chlorophenylthiocarbamate (CAS 444794-39-2), with molecular formula C14H12ClNOS and molecular weight 277.03 g/mol. IUPAC: O-(4-methylphenyl) N-(4-chlorophenyl)carbamothioate.
Chemical Property Profile of O-(4-methylphenyl) 4-chlorophenylthiocarbamate
Property Insights of O-(4-methylphenyl) 4-chlorophenylthiocarbamate
The XLogP value of 4.42422 indicates that O-(4-methylphenyl) 4-chlorophenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-(4-methylphenyl) 4-chlorophenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-methylphenyl) 4-chlorophenylthiocarbamate 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 O-(4-methylphenyl) 4-chlorophenylthiocarbamate?
The CAS number of O-(4-methylphenyl) 4-chlorophenylthiocarbamate is 444794-39-2.
What is the molecular formula of O-(4-methylphenyl) 4-chlorophenylthiocarbamate?
The molecular formula of O-(4-methylphenyl) 4-chlorophenylthiocarbamate is C14H12ClNOS.
What is the molecular weight of O-(4-methylphenyl) 4-chlorophenylthiocarbamate?
The molecular weight of O-(4-methylphenyl) 4-chlorophenylthiocarbamate is 277.03 g/mol.
Where can I buy O-(4-methylphenyl) 4-chlorophenylthiocarbamate?
You can request a quote for O-(4-methylphenyl) 4-chlorophenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-methylphenyl) 4-chlorophenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-methylphenyl) 4-chlorophenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.