Ethyl thiooxamate
TL;DR: Ethyl thiooxamate (CAS 51216-90-1) is a chemical compound with molecular formula C4H7NO2S and molecular weight 133.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-2-sulfanylideneacetate
Also Known As: Ethyl thiooxamate, ethyl 2-amino-2-thioxoacetate, ethyl 2-thiooxamate, ethyl carbamothioylformate, Ethyl Thioxamate
| Molecular Formula | C4H7NO2S |
|---|---|
| Molecular Weight | 133.02 g/mol |
| LogP | -0.1644 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.01974 |
| Heavy Atoms | 8 |
| Complexity | 112.605934 |
Chemical Identifiers
| CAS Number | 51216-90-1 |
|---|---|
| SMILES | CCOC(=O)C(=S)N |
Product Overview
Ethyl thiooxamate (CAS 51216-90-1), with molecular formula C4H7NO2S and molecular weight 133.02 g/mol. IUPAC: ethyl 2-amino-2-sulfanylideneacetate.
Chemical Property Profile of Ethyl thiooxamate
Property Insights of Ethyl thiooxamate
The XLogP value of -0.1644 indicates that Ethyl thiooxamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl thiooxamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl thiooxamate 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 thiooxamate?
The CAS number of Ethyl thiooxamate is 51216-90-1.
What is the molecular formula of Ethyl thiooxamate?
The molecular formula of Ethyl thiooxamate is C4H7NO2S.
What is the molecular weight of Ethyl thiooxamate?
The molecular weight of Ethyl thiooxamate is 133.02 g/mol.
Where can I buy Ethyl thiooxamate?
You can request a quote for Ethyl thiooxamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl thiooxamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl thiooxamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.