2-(Methylthio)acetonitrile
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2-(Methylthio)acetonitrile
structure -
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CAS No:
35120-10-6
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Formula:
C3H5NS
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Chemical Name:
2-(Methylthio)acetonitrile
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Synonyms:
Acetonitrile,2-(methylthio)-;Acetonitrile,(methylthio)-;2-(Methylthio)acetonitrile;(Methylthio)acetonitrile;Cyanomethyl methyl sulfide;NSC 207831;2-(Methylsulfanyl)acetonitrile;2-Methylsulfanylacetonitrile
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CAS No:
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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