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Structure

2-Butenoylisothiocyanate

CAS
60034-28-8
Catalog Number
ACM60034288
Category
Other Products
Molecular Weight
127.1643
Molecular Formula
C5H5NOS

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Specification

Synonyms
Crotonyl isothiocyanate, (2E)-2-Butenoyl isothiocyanate, MolPort-000-153-675, ZINC04253936, CID5365813, 60034-28-8
IUPAC Name
(E)-but-2-enoyl isothiocyanate
Canonical SMILES
CC=CC(=O)N=C=S
InChI Key
GGYYXENTGJDZTN-NSCUHMNNSA-N
Boiling Point
78-80ºC 17mm
Flash Point
61.4ºC
Density
1.1 g/cm³
Exact Mass
127.00900
H-Bond Acceptor
1
H-Bond Donor
0
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