2-hydroxy-4-(methylthio)butyronitrile
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2-hydroxy-4-(methylthio)butyronitrile
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CAS No:
17773-41-0
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Formula:
C5H9NOS
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Chemical Name:
2-hydroxy-4-(methylthio)butyronitrile
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Synonyms:
2-hydroxy-4-(methylthio)butyronitrile;2-Hydroxy-4-(methylmercapto)-butyronitrile;Butanenitrile, 2-hydroxy-4-(methylthio)-;Adenosyl Methionine Impurity 11;2-Hydroxy-4-(methylthio)butanenitrile
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CAS No:
Characteristics
69.3
0.4
1.128±0.06 g/cm3(Predicted)
279.6±25.0 °C(Predicted)
110g/L at 25℃
0.075Pa at 24.85℃
11.01±0.20(Predicted)
Safety Information
P260, P264, P270, P271, P273, P280, P284, P301+P310, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, P501
A poison by ingestion and skin contact. A moderate skin irritant.
|Danger|H300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-hydroxy-4-(methylthio)butyronitrile Use and Manufacturing
Butanenitrile, 2-hydroxy-4-(methylthio)-: ACTIVE
Computed Properties
Molecular Weight:131.20
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:131.04048508
Monoisotopic Mass:131.04048508
Topological Polar Surface Area:69.3
Heavy Atom Count:8
Complexity:95.8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-hydroxy-4-(methylthio)butyronitrile
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