Thiocyanic acid, 4,4-dimethyl-5-oxo-1-cyclopenten-1-yl ester

Base Information

• Chemical Name: Thiocyanic acid, 4,4-dimethyl-5-oxo-1-cyclopenten-1-yl ester
• CAS No.: 143278-03-9
• Molecular Formula: C8H9NOS
• DSSTox Substance ID: DTXSID00455339
• Wikidata: Q82277295

Synonyms:143278-03-9;Thiocyanic acid, 4,4-dimethyl-5-oxo-1-cyclopenten-1-yl ester;DTXSID00455339

Chemical Property of Thiocyanic acid, 4,4-dimethyl-5-oxo-1-cyclopenten-1-yl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.04048508
• Heavy Atom Count: 11
• Complexity: 269

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC=C(C1=O)SC#N)C

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