Propyl ethyldithiocarbamate
TL;DR: Propyl ethyldithiocarbamate (CAS 53859-67-9) is a chemical compound with molecular formula C6H13NS2 and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-ethylcarbamodithioate
Also Known As: Propyl ethyldithiocarbamate, propyl N-ethylcarbamodithioate, Propyl ethylcarbamodithioate, EINECS 258-824-3, Ethyldithiocarbamic acid propyl ester
| Molecular Formula | C6H13NS2 |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 2.024 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.04893 |
| Heavy Atoms | 9 |
| Complexity | 83.127045 |
Chemical Identifiers
| CAS Number | 53859-67-9 |
|---|---|
| SMILES | CCCSC(=S)NCC |
Product Overview
Propyl ethyldithiocarbamate (CAS 53859-67-9), with molecular formula C6H13NS2 and molecular weight 163.05 g/mol. IUPAC: propyl N-ethylcarbamodithioate.
Chemical Property Profile of Propyl ethyldithiocarbamate
Property Insights of Propyl ethyldithiocarbamate
The XLogP value of 2.024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl ethyldithiocarbamate. With a topological polar surface area (TPSA) of 12.03 Ų, Propyl ethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl ethyldithiocarbamate 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 Propyl ethyldithiocarbamate?
The CAS number of Propyl ethyldithiocarbamate is 53859-67-9.
What is the molecular formula of Propyl ethyldithiocarbamate?
The molecular formula of Propyl ethyldithiocarbamate is C6H13NS2.
What is the molecular weight of Propyl ethyldithiocarbamate?
The molecular weight of Propyl ethyldithiocarbamate is 163.05 g/mol.
Where can I buy Propyl ethyldithiocarbamate?
You can request a quote for Propyl ethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl ethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl ethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.