2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate
TL;DR: 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate (CAS 146853-63-6) is a chemical compound with molecular formula C17H28N4OS2 and molecular weight 368.17044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] N-octylcarbamodithioate
Also Known As: 2-(BIS(2-CYANOETHYL)AMINO)-2-OXOETHYL OCTYLDITHIOCARBAMATE, N,N-bis(2-cyanoethyl)-2-(octylthiocarbamoylsulfanyl)acetamide, [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] N-octylcarbamodithioate, N,N-bis(2-cyanoethyl)-2-[(octylamino)thioxomethylthio]acetamide
Technical Specifications
| Molecular Formula | C17H28N4OS2 |
| Molecular Weight | 368.17044 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 368.17044 Da |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
| SMILES | CCCCCCCCNC(=S)SCC(=O)N(CCC#N)CCC#N |
| InChIKey | PVTMRBOPXXVMSQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate
Property Insights of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate
The XLogP value of 3.4 indicates that 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate. Following Lipinski's Rule of Five, 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate?
The CAS number of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate is 146853-63-6.
What is the molecular formula of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate?
The molecular formula of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate is C17H28N4OS2.
What is the molecular weight of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate?
The molecular weight of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate is 368.17044 g/mol.
Where can I buy 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate?
You can request a quote for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate?
Yes, CoreyChem provides custom synthesis services for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl octyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.