Dimethyldithiocarbamic Acid Allyl Ester
TL;DR: Dimethyldithiocarbamic Acid Allyl Ester (CAS 20926-49-2) is a chemical compound with molecular formula C6H11NS2 and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N,N-dimethylcarbamodithioate
Also Known As: Allyl dimethyldithiocarbamate, Allyl dimethylcarbamodithioate, Dimethyldithiocarbamic Acid Allyl Ester, AllylDimethyldithiocarbamate, prop-2-enyl N,N-dimethylcarbamodithioate
| Molecular Formula | C6H11NS2 |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.0333 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 20926-49-2 |
|---|---|
| SMILES | CN(C)C(=S)SCC=C |
| InChIKey | ZFMLVJCASVPGIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyldithiocarbamic Acid Allyl Ester (CAS 20926-49-2), with molecular formula C6H11NS2 and molecular weight 161.03 g/mol. IUPAC: prop-2-enyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Dimethyldithiocarbamic Acid Allyl Ester
Property Insights of Dimethyldithiocarbamic Acid Allyl Ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyldithiocarbamic Acid Allyl Ester. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyldithiocarbamic Acid Allyl Ester. Following Lipinski's Rule of Five, Dimethyldithiocarbamic Acid Allyl Ester 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 Dimethyldithiocarbamic Acid Allyl Ester?
The CAS number of Dimethyldithiocarbamic Acid Allyl Ester is 20926-49-2.
What is the molecular formula of Dimethyldithiocarbamic Acid Allyl Ester?
The molecular formula of Dimethyldithiocarbamic Acid Allyl Ester is C6H11NS2.
What is the molecular weight of Dimethyldithiocarbamic Acid Allyl Ester?
The molecular weight of Dimethyldithiocarbamic Acid Allyl Ester is 161.03 g/mol.
Where can I buy Dimethyldithiocarbamic Acid Allyl Ester?
You can request a quote for Dimethyldithiocarbamic Acid Allyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyldithiocarbamic Acid Allyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Dimethyldithiocarbamic Acid Allyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.