Propanoic acid, 3-amino-3-thioxo-, methyl ester
TL;DR: Propanoic acid, 3-amino-3-thioxo-, methyl ester (CAS 689-09-8) 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.
methyl 3-amino-3-sulfanylidenepropanoate
Also Known As: methyl 3-amino-3-thioxopropanoate, methyl 2-carbamothioylacetate, methyl 3-amino-3-sulfanylidenepropanoate, methyl thiocarbamoylacetate, 2-(carbomethoxy)thioacetamide
| 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 | 2 |
| Exact Mass | 133.01974 |
| Heavy Atoms | 8 |
| Complexity | 112.605934 |
Chemical Identifiers
| CAS Number | 689-09-8 |
|---|---|
| SMILES | COC(=O)CC(=S)N |
Product Overview
Propanoic acid, 3-amino-3-thioxo-, methyl ester (CAS 689-09-8), with molecular formula C4H7NO2S and molecular weight 133.02 g/mol. IUPAC: methyl 3-amino-3-sulfanylidenepropanoate.
Chemical Property Profile of Propanoic acid, 3-amino-3-thioxo-, methyl ester
Property Insights of Propanoic acid, 3-amino-3-thioxo-, methyl ester
The XLogP value of -0.1644 indicates that Propanoic acid, 3-amino-3-thioxo-, methyl ester 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, Propanoic acid, 3-amino-3-thioxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-amino-3-thioxo-, methyl ester 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 Propanoic acid, 3-amino-3-thioxo-, methyl ester?
The CAS number of Propanoic acid, 3-amino-3-thioxo-, methyl ester is 689-09-8.
What is the molecular formula of Propanoic acid, 3-amino-3-thioxo-, methyl ester?
The molecular formula of Propanoic acid, 3-amino-3-thioxo-, methyl ester is C4H7NO2S.
What is the molecular weight of Propanoic acid, 3-amino-3-thioxo-, methyl ester?
The molecular weight of Propanoic acid, 3-amino-3-thioxo-, methyl ester is 133.02 g/mol.
Where can I buy Propanoic acid, 3-amino-3-thioxo-, methyl ester?
You can request a quote for Propanoic acid, 3-amino-3-thioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-amino-3-thioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-amino-3-thioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.