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Structure

Pentyl isothiocyanate

CAS
629-12-9
Catalog Number
ACM629129
Category
Other Products
Molecular Weight
129.22
Molecular Formula
C6H11NS

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Specification

Synonyms
Pentyl isothiocyanate, n-Pentyl isothiocyanate, n-Amyl isothiocyanate, 1-Isothiocyanatopentane, BB_SC-1846, CID69415, EINECS 211-075-6, STK802154, ZINC01845901, 629-12-9
IUPAC Name
1-isothiocyanatopentane
Canonical SMILES
CCCCCN=C=S
InChI Key
SGHJUJBYMSVAJY-UHFFFAOYSA-N
Boiling Point
95ºC
Flash Point
32ºC
Density
0.93
EC Number
211-075-6
Exact Mass
129.06100
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36-S37-S39
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