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Structure

Ethyl 2-isothiocyanatopropionate

CAS
39574-16-8
Catalog Number
ACM39574168
Category
Other Products
Molecular Weight
159.21
Molecular Formula
C6H9NO2S

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Specification

Synonyms
Ethyl 2-isothiocyanatopropionate, ZINC04255785, CID7154335, 39574-16-8
IUPAC Name
ethyl (2R)-2-isothiocyanatopropanoate
Canonical SMILES
CCOC(=O)C(C)N=C=S
InChI Key
ALJGYASQFZQQJX-RXMQYKEDSA-N
Boiling Point
218.2ºC at 760mmHg
Flash Point
85.7ºC
Density
1.1g/cm³
Exact Mass
159.03500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
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