1-Butene, 4-isothiocyanato-1-(methylthio)-

Base Information

• Chemical Name: 1-Butene, 4-isothiocyanato-1-(methylthio)-
• CAS No.: 13028-50-7
• Molecular Formula: C6H9NS2
• DSSTox Substance ID: DTXSID201272361
• Nikkaji Number: J393.181A,J112.943K

Synonyms:4-(methylthio)-3-butenyl isothiocyanate;4-methylthio-3-butenyl isothiocyanate;raphasatin

Chemical Property of 1-Butene, 4-isothiocyanato-1-(methylthio)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 159.01764164
• Heavy Atom Count: 9
• Complexity: 125

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MSDS Files:

Useful:

• Canonical SMILES: CSC=CCCN=C=S
• Isomeric SMILES: CS/C=C/CCN=C=S

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