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5-(Methylthio)pentanenitrile

5-(Methylthio)pentanenitrile structure

CAS No:
59121-25-4
Formula:
C6H11NS
Chemical Name:
5-(Methylthio)pentanenitrile
Synonyms:
Pentanenitrile,5-(methylthio)-;Valeronitrile,5-(methylthio)-;5-(Methylthio)pentanenitrile;1-Cyano-4-(methylthio)butane;4-(Methylthio)butyl cyanide;4-Cyanobutyl methyl sulfide;5-Methylthiopentanenitrile;Erucin nitrile;5-(Methylsulfanyl)pentanenitrile

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5-(Methylthio)pentanenitrile Basic Attributes

Molecular Weight：

129.23 g/mol

Exact Mass：

129.22

Characteristics

PSA：

49.1 Å²

Boiling Point：

218 °C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:129.23
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:129.06122053
Monoisotopic Mass:129.06122053
Topological Polar Surface Area:49.1
Heavy Atom Count:8
Complexity:81.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Methylthio)pentanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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