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CINNAMOYL ISOTHIOCYANATE

CINNAMOYL ISOTHIOCYANATE structure

CINNAMOYL ISOTHIOCYANATE 

structure
  • CAS No:

    19495-08-0

  • Formula:

    C10H7NOS

  • Chemical Name:

    CINNAMOYL ISOTHIOCYANATE

  • Synonyms:

    3-PHENYLPROP-2-ENOYL ISOTHIOCYANATE;CINNAMOYL ISOTHIOCYANATE;Cinnamoyl isothiocyanate (Predominately trans)

CINNAMOYL ISOTHIOCYANATE Basic Attributes

189.23

189.02500

DTXSID20420807

2930909090

Characteristics

61.5

2.32920

1.07g/cm3

43-45°C

311.9ºC at 760mmHg

142.4ºC

1.566

Safety Information

IRRITANT-HARMFUL

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:189.24
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:189.02483502
Monoisotopic Mass:189.02483502
Topological Polar Surface Area:61.5
Heavy Atom Count:13
Complexity:248
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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