O-(2-Chloroallyl) dimethylthiocarbamate
TL;DR: O-(2-Chloroallyl) dimethylthiocarbamate (CAS 6296-54-4) is a chemical compound with molecular formula C6H10ClNOS and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-chloroprop-2-enyl) N,N-dimethylcarbamothioate
Also Known As: O-(2-Chloroallyl) dimethylthiocarbamate, o-(2-chlor-2-propen-1-yl)-dimethylthiocarbamat, O-(2-Chloroprop-2-en-1-yl) dimethylcarbamothioate, O-(2-chloroprop-2-enyl) N,N-dimethylcarbamothioate, Carbamic acid, dimethylthio-, O-(2-chloroallyl) ester
| Molecular Formula | C6H10ClNOS |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.01717 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 6296-54-4 |
|---|---|
| SMILES | CN(C)C(=S)OCC(=C)Cl |
| InChIKey | AIJOKWDBQGGNMP-UHFFFAOYSA-N |
Product Overview
O-(2-Chloroallyl) dimethylthiocarbamate (CAS 6296-54-4), with molecular formula C6H10ClNOS and molecular weight 179.02 g/mol. IUPAC: O-(2-chloroprop-2-enyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of O-(2-Chloroallyl) dimethylthiocarbamate
Property Insights of O-(2-Chloroallyl) dimethylthiocarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-Chloroallyl) dimethylthiocarbamate. With a topological polar surface area (TPSA) of 44.6 Ų, O-(2-Chloroallyl) dimethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Chloroallyl) dimethylthiocarbamate has 0 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-Chloroallyl) dimethylthiocarbamate?
The CAS number of O-(2-Chloroallyl) dimethylthiocarbamate is 6296-54-4.
What is the molecular formula of O-(2-Chloroallyl) dimethylthiocarbamate?
The molecular formula of O-(2-Chloroallyl) dimethylthiocarbamate is C6H10ClNOS.
What is the molecular weight of O-(2-Chloroallyl) dimethylthiocarbamate?
The molecular weight of O-(2-Chloroallyl) dimethylthiocarbamate is 179.02 g/mol.
Where can I buy O-(2-Chloroallyl) dimethylthiocarbamate?
You can request a quote for O-(2-Chloroallyl) dimethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Chloroallyl) dimethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Chloroallyl) dimethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.