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Home > Encyclopedia > 4-methylsulfanylbutanenitrile

4-methylsulfanylbutanenitrile

4-methylsulfanylbutanenitrile structure

4-methylsulfanylbutanenitrile 

structure
  • CAS No:

    59121-24-3

  • Formula:

    C5H9NS

  • Chemical Name:

    4-methylsulfanylbutanenitrile

  • Synonyms:

    Butanenitrile, 4-(methylthio)-;59121-24-3;4-methylsulfanylbutanenitrile;4-(methylthio)butanenitrile;Butanenitrile, 4-methylthio-;4-(Methylthio)butyronitrile;4-(Methylthio)butylnitrile;4-(Methylsulfanyl)butanenitrile;4-Methylthiobutanenitrile;4-Methylthiobutyl nitrile;3-methylthiopropyl cyanide;4-Methylthio butanenitrile;3-(Methylthio)propyl cyanide;SCHEMBL371401;DTXSID90207864;4-(Methylsulfanyl)butanenitrile #;ZINC6019704;AKOS010085292;ZINC205416380;FT-0672230

4-methylsulfanylbutanenitrile Basic Attributes

115.20 g/mol

115.04557046 g/mol

DTXSID90207864

Characteristics

49.1 Ų

Safety Information

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:115.20
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:115.04557046
Monoisotopic Mass:115.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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