O-(4-methylphenyl) thiocarbamate
TL;DR: O-(4-methylphenyl) thiocarbamate (CAS 1126-82-5) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylphenyl) carbamothioate
Also Known As: O-p-Tolyl carbamothioate, O-(4-methylphenyl) thiocarbamate, 4-methylphenyl thiocarbamate, O-(4-methylphenyl) carbamothioate, amino(4-methylphenoxy)methane-1-thione
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.61742 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 255.2995 |
Chemical Identifiers
| CAS Number | 1126-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=S)N |
Product Overview
O-(4-methylphenyl) thiocarbamate (CAS 1126-82-5), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: O-(4-methylphenyl) carbamothioate.
Chemical Property Profile of O-(4-methylphenyl) thiocarbamate
Property Insights of O-(4-methylphenyl) thiocarbamate
The XLogP value of 1.61742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(4-methylphenyl) thiocarbamate. With a topological polar surface area (TPSA) of 35.25 Ų, O-(4-methylphenyl) thiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-methylphenyl) thiocarbamate 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) thiocarbamate?
The CAS number of O-(4-methylphenyl) thiocarbamate is 1126-82-5.
What is the molecular formula of O-(4-methylphenyl) thiocarbamate?
The molecular formula of O-(4-methylphenyl) thiocarbamate is C8H9NOS.
What is the molecular weight of O-(4-methylphenyl) thiocarbamate?
The molecular weight of O-(4-methylphenyl) thiocarbamate is 167.04 g/mol.
Where can I buy O-(4-methylphenyl) thiocarbamate?
You can request a quote for O-(4-methylphenyl) thiocarbamate 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) thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-methylphenyl) thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.