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Structure

2-Methylbutyl isothiocyanate

CAS
4404-51-7
Catalog Number
ACM4404517
Category
Other Products
Molecular Weight
129.22
Molecular Formula
C6H11NS

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Specification

Synonyms
ZINC02169696, ZINC02169697, CID7005082, 4404-51-7
IUPAC Name
(2S)-1-isothiocyanato-2-methylbutane
Canonical SMILES
CCC(C)CN=C=S
InChI Key
MKWQGOSIKKPMLW-LURJTMIESA-N
Boiling Point
84ºC
Density
0.95
Exact Mass
129.06100
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S45-S36-S37-S39
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