1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one

Base Information

• Chemical Name: 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one
• CAS No.: 175203-51-7
• Molecular Formula: C11H12 O2 S
• Molecular Weight: 208.27700
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90349798
• Wikidata: Q82125276
• ChEMBL ID: CHEMBL1520275
• Mol file: 175203-51-7.mol

Synonyms:175203-51-7;1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one;4-(5-Acetylthien-2-yl)-2-methylbut-3-yn-2-ol;1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone;1-[5-(3-Hydroxy-3-Methyl-But-1-Ynyl)-2-Thienyl]Ethan-1-One;1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]ethanone;1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]ethan-1-one;1-(5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl)ethanone;1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl)ethan-1-one;1-(5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)ethan-1-one;1-(5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)ethanone;SMR000038086;Maybridge1_004957;MLS000030407;CHEMBL1520275;HMS555J07;DTXSID90349798;HMS2285B03;CCG-56454;MFCD00173926;STK553831;AKOS005480466;NCGC00018340-01;NCGC00018340-02;CS-0320806;FT-0607161;A811871;SR-01000000320-2;W-206197;BRD-K43899142-001-08-1;F2167-6897;1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]ethanone;1-[5-(3-Hydroxy-3-methylbut-1-ynyl)thien-2-yl]ethanone;4-(5-acetylthien-2-yl)-2-methylbut-3-yn-2-ol, AldrichCPR

Chemical Property of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one

Chemical Property:

• Vapor Pressure: 2.97E-06mmHg at 25°C
• Melting Point: 79-82oC
• Boiling Point: 373.9oC at 760 mmHg
• PKA: 12.87±0.29(Predicted)
• Flash Point: 179.9oC
• PSA: 65.54000
• Density: 1.2g/cm3
• LogP: 2.07310
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.05580079
• Heavy Atom Count: 14
• Complexity: 295

Purity/Quality:

98% ^*data from raw suppliers

1-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(S1)C#CC(C)(C)O