2-Isothiocyanato-2-methylpropyl butanoate

Base Information

• Chemical Name: 2-Isothiocyanato-2-methylpropyl butanoate
• CAS No.: 106059-22-7
• Molecular Formula: C₉H₁₅NO₂S
• Molecular Weight: 201.29
• DSSTox Substance ID: DTXSID60543620

Synonyms:106059-22-7;2-Isothiocyanato-2-methylpropyl butanoate;DTXSID60543620

Chemical Property of 2-Isothiocyanato-2-methylpropyl butanoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 201.08234989
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC(C)(C)N=C=S

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