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Home > Encyclopedia > 4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE

4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE

4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE structure

4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE 

structure
  • CAS No:

    158871-28-4

  • Formula:

    C9H8N2OS4

  • Chemical Name:

    4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE

  • Synonyms:

    RARECHEM AR PA 0056;4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-;4,5-BIS(2''-CYANOETHYLTHIO)-1,3-DITHIOLE-2-ONE 97%;4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE;4,5-BIS(2'-CYANOETHYLTHIO)1-3-DITHIOL-2-ONE;4,5-BIS(2'-CYANOETHYLTHIO)-1,3-DITHIOLE-2-ONE

4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-ONE Basic Attributes

288.43

287.95200

DTXSID90401340

2930909090

Characteristics

166

3.18136

1.49±0.1 g/cm3(Predicted)

84-87 °C(lit.)

511.6±60.0 °C(Predicted)

263.2ºC

1.684

Safety Information

III

6.1

UN 3439 6.1/PG III

3

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:288.4
XLogP3:2.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:287.95194758
Monoisotopic Mass:287.95194758
Topological Polar Surface Area:166
Heavy Atom Count:16
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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