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trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane

trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane structure

CAS No:
25029-11-2
Formula:
C12H18N2S2
Chemical Name:
trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane
Synonyms:
Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-,trans-;Isothiocyanic acid,1,4-cyclohexylenediethylene ester,trans-;trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane;Cetovex

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trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane Basic Attributes

Molecular Weight：

254.41500

Exact Mass：

254.41

EC Number：

246-576-9

DSSTox ID：

DTXSID30179738

HScode：

2930909090

Characteristics

PSA：

88.90000

XLogP3：

3.77860

Density：

1.13g/cm3

Melting Point：

52-53 °C @ Solvent: Cyclohexane

Boiling Point：

409.1ºC

Flash Point：

216ºC

Refractive Index：

1.594

Vapor Pressure：

1.57E-06mmHg at 25°C

Computed Properties

Molecular Weight:254.4
XLogP3:6.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:254.09114093
Monoisotopic Mass:254.09114093
Topological Polar Surface Area:88.9
Heavy Atom Count:16
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane

Basic Attributes
Characteristics
Computed Properties

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