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Home > Encyclopedia > 4-(Methylthio)benzeneacetonitrile

4-(Methylthio)benzeneacetonitrile

4-(Methylthio)benzeneacetonitrile structure

4-(Methylthio)benzeneacetonitrile 

structure
  • CAS No:

    38746-92-8

  • Formula:

    C9H9NS

  • Chemical Name:

    4-(Methylthio)benzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,4-(methylthio)-;Acetonitrile,[p-(methylthio)phenyl]-;4-(Methylthio)benzeneacetonitrile;p-(Methylthio)phenylacetonitrile;[4-(Methylthio)phenyl]acetonitrile;4-Methylsulfanylphenylacetonitrile;2-[4-(Methylsulfanyl)phenyl]acetonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-(Methylthio)benzeneacetonitrile Basic Attributes

163.24

163.24

DTXSID10375019

2930909090

Characteristics

49.09000

2.47458

1.11±0.1 g/cm3

40.5-41.5 °C

120.5-127.5 °C @ Press: 1 Torr

180.8ºC

1.576

Safety Information

IRRITANT, IRRITANT-HARMFUL

3276

20/21/22-36/37/38

26-36/37/39

Xi

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.24
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:11
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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