(5-Methyl-1-benzothiophen-3-YL)acetonitrile

Base Information

• Chemical Name: (5-Methyl-1-benzothiophen-3-YL)acetonitrile
• CAS No.: 23799-59-9
• Molecular Formula: C11H9NS
• Molecular Weight: 187.26100
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90353370
• Nikkaji Number: J307.774H
• Wikidata: Q82130930
• Mol file: 23799-59-9.mol

Synonyms:23799-59-9;(5-METHYL-1-BENZOTHIOPHEN-3-YL)ACETONITRILE;2-(5-methyl-1-benzothiophen-3-yl)acetonitrile;(5-methyl-1-benzothien-3-yl)acetonitrile;Maybridge3_004285;DTXSID90353370;HMS1443C17;AKOS006274858;IDI1_015672;AA-516/30011058

Chemical Property of (5-Methyl-1-benzothiophen-3-YL)acetonitrile

Chemical Property:

• Boiling Point: 354.5±27.0 °C(Predicted)
• PSA: 52.03000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 3.27578
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.04557046
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC=C2CC#N