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Structure

Benzenepropanenitrile,a-[bis(methylthio)methylene]-b-oxo-3-(trifluoromethyl)-

CAS
116492-97-8
Catalog Number
ACM116492978
Category
Other Products
Molecular Weight
317.35
Molecular Formula
C13H10F3NOS2

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Specification

Synonyms
116492-97-8, ST51041588, 3,3-bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile, 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile, Benzenepropanenitrile, a-[bis(methylthio)methylene]-b-oxo-3-(trifluoromethyl)-, ZINC00125046, AC1MC4PI, Maybridge4_002130, ACMC-20e1t2, CTK4A9818, MolPort-000-151-565, HMS1527A18, AKOS015852508, AG-D-37939, NCGC00176890-01, KB-105096, A803625, BRD-K67893144-001-01-8, I01-14669, 3,3-Bis(methylthio-2-[3-(trifluoromethyl)benzoyl]acrylonitrile
IUPAC Name
3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
Canonical SMILES
CSC(=C(C#N)C(=O)C1=CC(=CC=C1)C(F)(F)F)SC
InChI Key
AWHHDJOLSFGHQP-UHFFFAOYSA-N
Melting Point
60ºC
Exact Mass
317.01600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
7
H-Bond Donor
0
Safety Description
26-36/37/39
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