o-Ethyl methylthiocarbamate
TL;DR: o-Ethyl methylthiocarbamate (CAS 817-73-2) is a chemical compound with molecular formula C4H9NOS and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-methylcarbamothioate
Also Known As: o-Ethyl methylthiocarbamate, O-ethyl N-methylcarbamothioate, O-Ethyl methylcarbamothioate, ethyl N-methyl-thiocarbamate, o-Ethyl methylthiocarbamate #
| Molecular Formula | C4H9NOS |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 0.5272 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.04048 |
| Heavy Atoms | 7 |
| Complexity | 64.71014 |
Chemical Identifiers
| CAS Number | 817-73-2 |
|---|---|
| SMILES | CCOC(=S)NC |
Product Overview
o-Ethyl methylthiocarbamate (CAS 817-73-2), with molecular formula C4H9NOS and molecular weight 119.04 g/mol. IUPAC: O-ethyl N-methylcarbamothioate.
Chemical Property Profile of o-Ethyl methylthiocarbamate
Property Insights of o-Ethyl methylthiocarbamate
The XLogP value of 0.5272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Ethyl methylthiocarbamate. With a topological polar surface area (TPSA) of 21.26 Ų, o-Ethyl methylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Ethyl methylthiocarbamate 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 methylthiocarbamate?
The CAS number of o-Ethyl methylthiocarbamate is 817-73-2.
What is the molecular formula of o-Ethyl methylthiocarbamate?
The molecular formula of o-Ethyl methylthiocarbamate is C4H9NOS.
What is the molecular weight of o-Ethyl methylthiocarbamate?
The molecular weight of o-Ethyl methylthiocarbamate is 119.04 g/mol.
Where can I buy o-Ethyl methylthiocarbamate?
You can request a quote for o-Ethyl methylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Ethyl methylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl methylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.