o-Ethyl 4-methylphenylthiocarbamate
TL;DR: o-Ethyl 4-methylphenylthiocarbamate (CAS 5308-12-3) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(4-methylphenyl)carbamothioate
Also Known As: o-Ethyl 4-methylphenylthiocarbamate, O-ethyl p-tolylcarbamothioate, o-Ethyl (p-tolyl)thiocarbamate, O-Ethyl p-tolylthiocarbamate, O-ethyl N-(4-methylphenyl)carbamothioate
| Molecular Formula | C10H13NOS |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 2.72832 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0718 |
| Heavy Atoms | 13 |
| Complexity | 281.48114 |
Chemical Identifiers
| CAS Number | 5308-12-3 |
|---|---|
| SMILES | CCOC(=S)NC1=CC=C(C=C1)C |
Product Overview
o-Ethyl 4-methylphenylthiocarbamate (CAS 5308-12-3), with molecular formula C10H13NOS and molecular weight 195.07 g/mol. IUPAC: O-ethyl N-(4-methylphenyl)carbamothioate.
Chemical Property Profile of o-Ethyl 4-methylphenylthiocarbamate
Property Insights of o-Ethyl 4-methylphenylthiocarbamate
The XLogP value of 2.72832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Ethyl 4-methylphenylthiocarbamate. With a topological polar surface area (TPSA) of 21.26 Ų, o-Ethyl 4-methylphenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Ethyl 4-methylphenylthiocarbamate 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-Ethyl 4-methylphenylthiocarbamate?
The CAS number of o-Ethyl 4-methylphenylthiocarbamate is 5308-12-3.
What is the molecular formula of o-Ethyl 4-methylphenylthiocarbamate?
The molecular formula of o-Ethyl 4-methylphenylthiocarbamate is C10H13NOS.
What is the molecular weight of o-Ethyl 4-methylphenylthiocarbamate?
The molecular weight of o-Ethyl 4-methylphenylthiocarbamate is 195.07 g/mol.
Where can I buy o-Ethyl 4-methylphenylthiocarbamate?
You can request a quote for o-Ethyl 4-methylphenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Ethyl 4-methylphenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl 4-methylphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.