1-(2-Isothiocyanatoethoxy)ethyl bromoacetate

Base Information

• Chemical Name: 1-(2-Isothiocyanatoethoxy)ethyl bromoacetate
• CAS No.: 137914-53-5
• Molecular Formula: C7H10BrNO3S
• DSSTox Substance ID: DTXSID10565877

Synonyms:137914-53-5;1-(2-Isothiocyanatoethoxy)ethyl bromoacetate;DTXSID10565877;2-[1-(bromoacetoxy)ethoxy]ethyl isothiocyanate

Chemical Property of 1-(2-Isothiocyanatoethoxy)ethyl bromoacetate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 266.95648
• Heavy Atom Count: 13
• Complexity: 206

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MSDS Files:

Useful:

• Canonical SMILES: CC(OCCN=C=S)OC(=O)CBr

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