Bis(3-methyl-2-thienyl)methanone

Base Information

• Chemical Name: Bis(3-methyl-2-thienyl)methanone
• CAS No.: 30717-55-6
• Molecular Formula: C11H10OS2
• Molecular Weight: 222.332
• Hs Code.: 2934999090
• UNII: 62VRR6F98N
• DSSTox Substance ID: DTXSID90358527
• Nikkaji Number: J3.056.843E
• Wikidata: Q72446522
• ChEMBL ID: CHEMBL1430170
• Mol file: 30717-55-6.mol

Synonyms:30717-55-6;bis(3-methyl-2-thienyl)methanone;bis(3-methylthiophen-2-yl)methanone;Bis-(3-methyl-thiophen-2-yl)-methanone;Bis(3-methylthien-2-yl)methanone;Methanone, bis(3-methyl-2-thienyl)-;Bisthiophenylmethanone;Bis(3-methyl-2-thienyl) ketone;62VRR6F98N;Ketone, bis(3-methyl-2-thienyl);UNII-62VRR6F98N;Bisthiophenylmethanone [USP];MLS000701592;SCHEMBL3289108;CHEMBL1430170;DTXSID90358527;HMS2588K11;MFCD01927395;AKOS010867813;SB36499;SMR000226694;BISTHIOPHENYLMETHANONE [USP IMPURITY];CS-0341453;FT-0651256;AI-942/13331524;2-FLUORO-1,3-DIMETHYLIMIDAZOLIDINIUMHEXAFLUOROPHOSPHATE

Chemical Property of Bis(3-methyl-2-thienyl)methanone

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Refractive Index: 1.614
• Boiling Point: 297.3 °C at 760 mmHg
• Flash Point: 133.6 °C
• PSA: 73.55000
• Density: 1.241 g/cm³
• LogP: 3.65740
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.01730729
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

98%Min ^*data from raw suppliers

Bis(3-methylthien-2-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)C(=O)C2=C(C=CS2)C
• Uses: Bis(3-methylthien-2-yl)methanone is an impurity of Tiagabine (T436400), a GABA uptake inhibitor and nticonvulsant agent.