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Structure

Cyclododecyl isothiocyanate

CAS
59037-64-8
Catalog Number
ACM59037648
Category
Other Products
Molecular Weight
225.39
Molecular Formula
C13H23NS

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Specification

Synonyms
Cyclododecyl isothiocyanate, Isothiocyanatocyclododecane, NSC129254, CID143589, ZINC04254034, 59037-64-8
IUPAC Name
isothiocyanatocyclododecane
Canonical SMILES
C1CCCCCC(CCCCC1)N=C=S
InChI Key
VSCLPFIUOOBLQJ-UHFFFAOYSA-N
Boiling Point
340ºC at 760 mmHg
Flash Point
167.7ºC
Density
0.99
Exact Mass
225.15500
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
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