2,5-Dimethyl-3-thioisovalerylfuran

Base Information

• Chemical Name: 2,5-Dimethyl-3-thioisovalerylfuran
• CAS No.: 55764-28-8
• Molecular Formula: C11H16 O2 S
• Molecular Weight: 212.3085
• European Community (EC) Number: 259-802-6
• UNII: L186I8YZ6T
• DSSTox Substance ID: DTXSID70204316
• Nikkaji Number: J94.710E
• Metabolomics Workbench ID: 47642
• Mol file: 55764-28-8.mol

Synonyms:2,5-Dimethyl-3-thioisovalerylfuran;55764-28-8;FEMA No. 3482;S-(2,5-Dimethyl-3-furyl) 3-methylbutanethioate;3-(Isovalerylthio)-2,5-dimethylfuran;2,5-Dimethyl-3-thioisovaleryl furan;S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate;S-(2,5-Dimethyl-3-furyl) thioisovalerate;EINECS 259-802-6;ISOVALERIC ACID, THIO-, S-2,5-DIMETHYL-3-FURYL ESTER;S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate;UNII-L186I8YZ6T;L186I8YZ6T;Butanethioic acid, 3-methyl-, S-(2,5-dimethyl-3-furanyl) ester;S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate;SCHEMBL3504609;FEMA 3482;DTXSID70204316;CHEBI:174085;2,5-Dimethyl-3-(thioisovaleryl)furan;LS-2698;DIMETHYL-3-THIOISOVALERYLFURAN, 2,5-;2,5-DIMETHYL-3-THIOISOVALERYLFURAN [FHFI];S-(2,5-dimethyluran-3-yl) 3-methylbutanethioate;Q27282584;3-Methylthiobutyric acid S-(2,5-dimethyl-3-furyl) ester;1-[(2,5-DIMETHYLFURAN-3-YL)SULFANYL]-3-METHYLBUTAN-1-ONE

Chemical Property of 2,5-Dimethyl-3-thioisovalerylfuran

Chemical Property:

• Vapor Pressure: 0.00464mmHg at 25°C
• Boiling Point: 277 °C at 760 mmHg
• Flash Point: 121.3 °C
• PSA: 55.51000
• Density: 1.07 g/cm³
• LogP: 3.56120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.08710092
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

S-(2,5-DIMETHYL-3-FURYL)-3-METHYLBUTANETHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)SC(=O)CC(C)C

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