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Home > Encyclopedia > 4-Methylthio-3-butenyl isothiocyanate

4-Methylthio-3-butenyl isothiocyanate

4-Methylthio-3-butenyl isothiocyanate structure

4-Methylthio-3-butenyl isothiocyanate 

structure
  • CAS No:

    51598-96-0

  • Formula:

    C6H9NS2

  • Chemical Name:

    4-Methylthio-3-butenyl isothiocyanate

  • Synonyms:

    1-Butene,4-isothiocyanato-1-(methylthio)-;Isothiocyanic acid,4-(methylthio)-3-butenyl ester;4-Isothiocyanato-1-(methylthio)-1-butene;4-Methylthio-3-butenyl isothiocyanate;Dehydroerucin;Raphasatin

4-Methylthio-3-butenyl isothiocyanate Basic Attributes

159.3 g/mol

159.27

Characteristics

69.8 Ų

Drug Information

4-(methylthio)-3-butenyl isothiocyanate

Computed Properties

Molecular Weight:159.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:159.01764164
Monoisotopic Mass:159.01764164
Topological Polar Surface Area:69.8
Heavy Atom Count:9
Complexity:125
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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