5-Acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile

Base Information

• Chemical Name: 5-Acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile
• CAS No.: 845266-23-1
• Molecular Formula: C11H9NOS2
• Molecular Weight: 235.33
• DSSTox Substance ID: DTXSID00384852
• Wikidata: Q82177242
• ChEMBL ID: CHEMBL4540044
• Mol file: 845266-23-1.mol

Synonyms:5-acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile;845266-23-1;Thieno[2,3-b]thiophene-2-carbonitrile,5-acetyl-3,4-dimethyl-;HMS554H12;Maybridge1_004566;CHEMBL4540044;DTXSID00384852;CCG-254050;FT-0702654

Chemical Property of 5-Acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile

Chemical Property:

• Vapor Pressure: 2.56E-07mmHg at 25°C
• Refractive Index: 1.645
• Boiling Point: 421.6 °C at 760 mmHg
• Flash Point: 208.8 °C
• PSA: 97.34000
• Density: 1.33g/cm³
• LogP: 3.65388
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.01255626
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

98%Min ^*data from raw suppliers

5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=C(S2)C(=O)C)C)C#N