Propanoic acid, 3-ethoxy-3-thioxo-, ethyl ester

Base Information

• Chemical Name: Propanoic acid, 3-ethoxy-3-thioxo-, ethyl ester
• CAS No.: 16516-12-4
• Molecular Formula: C7H12O3S
• Molecular Weight: 176.236
• European Community (EC) Number: 665-793-3
• DSSTox Substance ID: DTXSID10409803
• Wikidata: Q82215785
• Mol file: 16516-12-4.mol

Synonyms:ethyl 3-ethoxy-3-thioxopropanoate;Propanoic acid, 3-ethoxy-3-thioxo-, ethyl ester;diethyl thiomalonate;16516-12-4;SCHEMBL9270094;DTXSID10409803;AKOS024335879;InChI=1/C7H12O3S/c1-3-9-6(8)5-7(11)10-4-2/h3-5H2,1-2H

Chemical Property of Propanoic acid, 3-ethoxy-3-thioxo-, ethyl ester

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 176.05071541
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=S)OCC