O-(2,4-dimethylphenyl) phenylthiocarbamate
TL;DR: O-(2,4-dimethylphenyl) phenylthiocarbamate (CAS 86317-35-3) is a chemical compound with molecular formula C15H15NOS and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2,4-dimethylphenyl) N-phenylcarbamothioate
Also Known As: O-(2,4-dimethylphenyl) phenylthiocarbamate, O-(2,4-dimethylphenyl) N-phenylcarbamothioate, AL-398/12677001
| Molecular Formula | C15H15NOS |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 4.07924 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08743 |
| Heavy Atoms | 18 |
| Complexity | 551.675 |
Chemical Identifiers
| CAS Number | 86317-35-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=S)NC2=CC=CC=C2)C |
Product Overview
O-(2,4-dimethylphenyl) phenylthiocarbamate (CAS 86317-35-3), with molecular formula C15H15NOS and molecular weight 257.09 g/mol. IUPAC: O-(2,4-dimethylphenyl) N-phenylcarbamothioate.
Chemical Property Profile of O-(2,4-dimethylphenyl) phenylthiocarbamate
Property Insights of O-(2,4-dimethylphenyl) phenylthiocarbamate
The XLogP value of 4.07924 indicates that O-(2,4-dimethylphenyl) phenylthiocarbamate 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-(2,4-dimethylphenyl) phenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,4-dimethylphenyl) phenylthiocarbamate 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-(2,4-dimethylphenyl) phenylthiocarbamate?
The CAS number of O-(2,4-dimethylphenyl) phenylthiocarbamate is 86317-35-3.
What is the molecular formula of O-(2,4-dimethylphenyl) phenylthiocarbamate?
The molecular formula of O-(2,4-dimethylphenyl) phenylthiocarbamate is C15H15NOS.
What is the molecular weight of O-(2,4-dimethylphenyl) phenylthiocarbamate?
The molecular weight of O-(2,4-dimethylphenyl) phenylthiocarbamate is 257.09 g/mol.
Where can I buy O-(2,4-dimethylphenyl) phenylthiocarbamate?
You can request a quote for O-(2,4-dimethylphenyl) phenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,4-dimethylphenyl) phenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,4-dimethylphenyl) phenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.