S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate
TL;DR: S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate (CAS 63746-98-5) is a chemical compound with molecular formula C14H12ClNO2S and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-hydroxyphenyl) N-(2-chloro-6-methylphenyl)carbamothioate
Also Known As: S-(4-HYDROXYPHENYL) N-(2-CHLORO-6-METHYLPHENYL)THIOCARBAMATE, S-(4-hydroxyphenyl) N-(2-chloro-6-methylphenyl)carbamothioate, N-(2-chloro-6-methyl-phenyl)-1-(4-hydroxyphenyl)sulfanyl-formamide, 666-143-1, RefChem:884151
| Molecular Formula | C14H12ClNO2S |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 4.67822 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.02774 |
| Heavy Atoms | 19 |
| Complexity | 578.645 |
Chemical Identifiers
| CAS Number | 63746-98-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)SC2=CC=C(C=C2)O |
Product Overview
S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate (CAS 63746-98-5), with molecular formula C14H12ClNO2S and molecular weight 293.03 g/mol. IUPAC: S-(4-hydroxyphenyl) N-(2-chloro-6-methylphenyl)carbamothioate.
Chemical Property Profile of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate
Property Insights of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate
The XLogP value of 4.67822 indicates that S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate has 2 hydrogen bond donor(s) and 3 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-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate?
The CAS number of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate is 63746-98-5.
What is the molecular formula of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate?
The molecular formula of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate is C14H12ClNO2S.
What is the molecular weight of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate?
The molecular weight of S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate is 293.03 g/mol.
Where can I buy S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate?
You can request a quote for S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)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-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Hydroxyphenyl) N-(2-chloro-6-methylphenyl)thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.