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DEHYDROABIETYL ISOTHIOCYANATE

DEHYDROABIETYL ISOTHIOCYANATE structure

DEHYDROABIETYL ISOTHIOCYANATE 

structure
  • CAS No:

    115269-93-7

  • Formula:

    C21H29NS

  • Chemical Name:

    DEHYDROABIETYL ISOTHIOCYANATE

  • Synonyms:

    dehydroabietyl isothiocyanate;Dehydroabietyl isothiocyanate, tech.;(1R,4aS,10aR)-1-(isothiocyanatomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene;Dehydroabietylisothiocyanate;DTXSID60921666;ZINC4254165;9555AC;18-Isothiocyanatoabieta-8,11,13-triene;A803400;J-003273

DEHYDROABIETYL ISOTHIOCYANATE Basic Attributes

327.52666

327.20200

Characteristics

44.4

5.92310

1.07±0.1 g/cm3(Predicted)

439.8±14.0 °C(Predicted)

237.4ºC

1.584

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:327.5
XLogP3:7.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:327.20207110
Monoisotopic Mass:327.20207110
Topological Polar Surface Area:44.4
Heavy Atom Count:23
Complexity:480
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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