Ethyl acetylcarbamodithioate
TL;DR: Ethyl acetylcarbamodithioate (CAS 6322-61-8) is a chemical compound with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-acetylcarbamodithioate
Also Known As: Ethyl acetylcarbamodithioate, Ethyl acetyldithiocarbamate #, ethyl N-acetylcarbamodithioate, N-acetyldithiocarbamic acid ethyl ester, 2-Thiabutylamine-1-thione, N-acetyl-
| Molecular Formula | C5H9NOS2 |
|---|---|
| Molecular Weight | 163.01 g/mol |
| LogP | 1.1605 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.01256 |
| Heavy Atoms | 9 |
| Complexity | 124.1264 |
Chemical Identifiers
| CAS Number | 6322-61-8 |
|---|---|
| SMILES | CCSC(=S)NC(=O)C |
Product Overview
Ethyl acetylcarbamodithioate (CAS 6322-61-8), with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol. IUPAC: ethyl N-acetylcarbamodithioate.
Chemical Property Profile of Ethyl acetylcarbamodithioate
Property Insights of Ethyl acetylcarbamodithioate
The XLogP value of 1.1605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl acetylcarbamodithioate. With a topological polar surface area (TPSA) of 29.1 Ų, Ethyl acetylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl acetylcarbamodithioate has 1 hydrogen bond donor(s) and 3 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 Ethyl acetylcarbamodithioate?
The CAS number of Ethyl acetylcarbamodithioate is 6322-61-8.
What is the molecular formula of Ethyl acetylcarbamodithioate?
The molecular formula of Ethyl acetylcarbamodithioate is C5H9NOS2.
What is the molecular weight of Ethyl acetylcarbamodithioate?
The molecular weight of Ethyl acetylcarbamodithioate is 163.01 g/mol.
Where can I buy Ethyl acetylcarbamodithioate?
You can request a quote for Ethyl acetylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl acetylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl acetylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.