1-Isothiocyanato-1-(1-isothiocyanatobutoxy)butane

Base Information

• Chemical Name: 1-Isothiocyanato-1-(1-isothiocyanatobutoxy)butane
• CAS No.: 113815-89-7
• Molecular Formula: C10H16N2OS2
• DSSTox Substance ID: DTXSID20551322

Synonyms:113815-89-7;1-Isothiocyanato-1-(1-isothiocyanatobutoxy)butane;DTXSID20551322

Chemical Property of 1-Isothiocyanato-1-(1-isothiocyanatobutoxy)butane

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 244.07040549
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(N=C=S)OC(CCC)N=C=S

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