2-methyl-1,3-dithiane-2-carbonitrile Oxide

Base Information

• Chemical Name: 2-methyl-1,3-dithiane-2-carbonitrile Oxide
• CAS No.: 188841-14-7
• Molecular Formula: C₆H₉NOS₂
• Molecular Weight: 175.276
• DSSTox Substance ID: DTXSID10447184
• Nikkaji Number: J828.449K
• Wikidata: Q82266007
• Mol file: 188841-14-7.mol

Synonyms:2-methyl-1,3-dithiane-2-carbonitrile Oxide;188841-14-7;1,3-Dithiane-2-carbonitrile, 2-methyl-, N-oxide;DTXSID10447184

Chemical Property of 2-methyl-1,3-dithiane-2-carbonitrile Oxide

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.01255626
• Heavy Atom Count: 10
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(SCCCS1)C#[N+][O-]