Methoxyacetyl isothiocyanate

Base Information

• Chemical Name: Methoxyacetyl isothiocyanate
• CAS No.: 113574-80-4
• Molecular Formula: C4H5NO2S
• DSSTox Substance ID: DTXSID90551157
• Mol file: 113574-80-4.mol

Synonyms:Methoxyacetyl isothiocyanate;113574-80-4;DTXSID90551157

Chemical Property of Methoxyacetyl isothiocyanate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.00409958
• Heavy Atom Count: 8
• Complexity: 128

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(=O)N=C=S