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Hexamethylene diisothiocyanate

Hexamethylene diisothiocyanate structure

Hexamethylene diisothiocyanate 

structure
  • CAS No:

    5586-70-9

  • Formula:

    C8H12N2S2

  • Chemical Name:

    Hexamethylene diisothiocyanate

  • Synonyms:

    Hexane,1,6-diisothiocyanato-;Isothiocyanic acid,hexamethylene ester;1,6-Diisothiocyanatohexane;Hexamethylene diisothiocyanate;1,6-Hexanediisothiocyanate;NSC 202579

Hexamethylene diisothiocyanate Basic Attributes

200.32400

200.32

37LD7GL3UD

202579

DTXSID70204457

2930909090

Characteristics

88.90000

2.75240

1.06g/cm3

183ºC

183-184 °C @ Press: 6 Torr

158.5ºC

1.552

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Computed Properties

Molecular Weight:200.3
XLogP3:4.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:200.04419074
Monoisotopic Mass:200.04419074
Topological Polar Surface Area:88.9
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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