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Home > Encyclopedia > 2-(Methylthio)acetonitrile

2-(Methylthio)acetonitrile

2-(Methylthio)acetonitrile structure

2-(Methylthio)acetonitrile 

structure
  • CAS No:

    35120-10-6

  • Formula:

    C3H5NS

  • Chemical Name:

    2-(Methylthio)acetonitrile

  • Synonyms:

    Acetonitrile,2-(methylthio)-;Acetonitrile,(methylthio)-;2-(Methylthio)acetonitrile;(Methylthio)acetonitrile;Cyanomethyl methyl sulfide;NSC 207831;2-(Methylsulfanyl)acetonitrile;2-Methylsulfanylacetonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear colourless to yellow liquid

2-(Methylthio)acetonitrile Basic Attributes

87.14

87.14

1738015

252-383-0

207831

DTXSID30188623

2930909090

Characteristics

49.09000

0.87298

1.039 g/mL at 25 °C(lit.)

74.5 °C @ Press: 20 Torr

154 °F

n20/D 1.483(lit.)

Refrigerator

Safety Information

II

6.1

UN 1760 8/PG 2

3

20/21/22-36/37

23-27-28-36/37/39-38

Xn

|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|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:87.15
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:87.01427034
Monoisotopic Mass:87.01427034
Topological Polar Surface Area:49.1
Heavy Atom Count:5
Complexity:51.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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