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

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

CAS No:
132765-35-6
Formula:
C9H8N2S5
Chemical Name:
4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-THIONE
Synonyms:
RARECHEM AR PA 0055;4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-THIONE;4,5-BIS(2'-CYANOETHYLTHIO)-1,3-DITHIOLE-2-THIONE;3-((5-[(2-CYANOETHYL)THIO]-2-THIOXO-1,3-DITHIOL-4-YL)THIO)PROPANENITRILE;4,5-BIS(2''-CYANOETHYLTHIO)-1,3-DITHIOLE-2-THIONE 97%

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

Molecular Weight：

304.5

Exact Mass：

303.92900

DSSTox ID：

DTXSID30384744

HScode：

2930909090

Characteristics

PSA：

181

XLogP3：

4.55066

Density：

1.51±0.1 g/cm3(Predicted)

Melting Point：

81.0 to 85.0 °C

Boiling Point：

512.8±60.0 °C(Predicted)

Flash Point：

264ºC

Refractive Index：

1.729

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

Precautionary statement(s)：

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

Hazard Statements：

H301

GHS Classification：

|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:304.5
XLogP3:2.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:303.92910413
Monoisotopic Mass:303.92910413
Topological Polar Surface Area:181
Heavy Atom Count:16
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-THIONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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

SDS

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