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1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile

1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile structure

CAS No:
306935-92-2
Formula:
C11H9F3N2S
Chemical Name:
1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile
Synonyms:
3-Quinolinecarbonitrile,1,2,5,6,7,8-hexahydro-2-thioxo-4-(trifluoromethyl)-;1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile;2-Sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;2-Sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile;2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile Basic Attributes

Molecular Weight：

258.26

Exact Mass：

258.26

DSSTox ID：

DTXSID50380167

HScode：

2933499090

Characteristics

PSA：

75.48000

XLogP3：

3.13958

Density：

1.42±0.1 g/cm3

Melting Point：

219-220 °C @ Solvent: Ethanol

Boiling Point：

316.2±52.0 °C(Predicted)

Flash Point：

145ºC

Refractive Index：

1.561

PKA：

7.32±0.60

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Computed Properties

Molecular Weight:258.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:258.04385396
Monoisotopic Mass:258.04385396
Topological Polar Surface Area:67.9
Heavy Atom Count:17
Complexity:491
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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