2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic Acid

Base Information

• Chemical Name: 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic Acid
• CAS No.: 613656-84-1
• Molecular Formula: C7H7NO4S
• Molecular Weight: 201.19978
• DSSTox Substance ID: DTXSID90362583
• Mol file: 613656-84-1.mol

Synonyms:2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic Acid;(3-Ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic acid;DTXSID90362583;Acetic acid,(3-ethyl-2,4-dioxo-5-thiazolidinylidene)-(9ci)

Chemical Property of 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic Acid

Chemical Property:

• Boiling Point: 330.4±52.0 °C(Predicted)
• PKA: 1.91±0.41(Predicted)
• PSA: 99.98000
• Density: 1.653±0.06 g/cm3(Predicted)
• LogP: 0.60810
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.00957888
• Heavy Atom Count: 13
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)C(=CC(=O)O)SC1=O