3-[(2-Hydroxyethyl)thio]propanenitrile
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![3-[(2-Hydroxyethyl)thio]propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6aef4bf24c8a4f1b9260fc1caaef84ba.png "3-[(2-Hydroxyethyl)thio]propanenitrile")
3-[(2-Hydroxyethyl)thio]propanenitrile
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CAS No:
15771-37-6
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Formula:
C5H9NOS
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Chemical Name:
3-[(2-Hydroxyethyl)thio]propanenitrile
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Synonyms:
Propanenitrile,3-[(2-hydroxyethyl)thio]-;Propionitrile,3-[(2-hydroxyethyl)thio]-;3-[(2-Hydroxyethyl)thio]propanenitrile;2-(2-Cyanoethylthio)ethanol;3-[(2-Hydroxyethyl)sulfanyl]propanenitrile
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CAS No:
3-[(2-Hydroxyethyl)thio]propanenitrile Basic Attributes
131.19600
131.20
208PJI4W33
DTXSID40408900
2930909090
Characteristics
69.32000
0.62558
1.140 g/cm3 @ Temp: 20 °C
163.5-164.5 °C @ Press: 8 Torr
148ºC
1.509
2.45E-05mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:131.20
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:131.04048508
Monoisotopic Mass:131.04048508
Topological Polar Surface Area:69.3
Heavy Atom Count:8
Complexity:85.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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