Phenanthrene,1,2,3,4,4a,9,10,10a-octahydro-1-(isothiocyanatomethyl)-1,4a-dimethyl-7-(1-methylethyl)-,(1r,4as,10ar)-

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Catalog Number

ACM115269937

Product Name

Structure

CAS

115269-93-7

Category

Heterocyclic Organic Compound

Synonyms

MolPort-016-578-649, 115269-93-7, (1S,4aS,10aR)-7-isopropyl-1-(isothiocyanatomethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene

IUPAC Name

(1S,4aS,10aR)-1-(isothiocyanatomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene

Molecular Weight

327.52666

Molecular Formula

C₂₁H₂₉NS

Canonical SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN=C=S)C

InChI Key

AKTYQDWLPBOJTD-PWRODBHTSA-N

Boiling Point

439.8ºC at 760mmHg

Flash Point

237.4ºC

Density

1.07g/cm³

Exact Mass

327.20200

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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