Butanoic acid, 3-thioxo-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 3-thioxo-, ethyl ester
• CAS No.: 7740-33-2
• Molecular Formula: C6H10O2S
• Molecular Weight: 146.21
• DSSTox Substance ID: DTXSID70471581
• Wikidata: Q82300146
• Mol file: 7740-33-2.mol

Synonyms:3-thioxo-butyric acid ethyl ester;Butanoic acid, 3-thioxo-, ethyl ester;ethyl 3-thioxobutanoate;7740-33-2;SCHEMBL9588859;ethyl 2-methylthiocarbonylacetate;DTXSID70471581;SWAGLDNLSXGNLF-UHFFFAOYSA-N

Chemical Property of Butanoic acid, 3-thioxo-, ethyl ester

Chemical Property:

• Refractive Index: 1.4712 (estimate)
• Boiling Point: 128°C (estimate)
• PSA: 58.39000
• Density: 1.0554
• LogP: 1.32940
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.04015073
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=S)C