Butanoic acid, 2-(1,3-dithiolan-2-ylidene)-3-oxo-, methyl ester

Base Information

• Chemical Name: Butanoic acid, 2-(1,3-dithiolan-2-ylidene)-3-oxo-, methyl ester
• CAS No.: 91256-47-2
• Molecular Formula: C8H10O3S2
• DSSTox Substance ID: DTXSID00454302
• Nikkaji Number: J2.141.112D
• ChEMBL ID: CHEMBL35512
• Mol file: 91256-47-2.mol

Synonyms:91256-47-2;Butanoic acid, 2-(1,3-dithiolan-2-ylidene)-3-oxo-, methyl ester;CHEMBL35512;DTXSID00454302;2-(1,3-Dithiolane-2-ylidene)acetoacetic acid methyl ester

Chemical Property of Butanoic acid, 2-(1,3-dithiolan-2-ylidene)-3-oxo-, methyl ester

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 218.00713652
• Heavy Atom Count: 13
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=C1SCCS1)C(=O)OC