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Home >> Chemical Listing >> Page 2716 >> 3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile

3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile
[CAS# 838871-76-4]

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Identification
Name 3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile
Synonyms 3-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzonitrile; BENZONITRILE,3-[3,3-BIS(METHYLTHIO)-1-OXO-2-PROPEN-1-YL]-
Molecular Structure CAS#: 838871-76-4, 3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile
Molecular Formula C12H11NOS2
Molecular Weight 249.35
CAS Registry Number 838871-76-4
SMILES CSC(=CC(=O)c1cccc(c1)C#N)SC
InChI 1S/C12H11NOS2/c1-15-12(16-2)7-11(14)10-5-3-4-9(6-10)8-13/h3-7H,1-2H3
InChIKey YMMDMBWZQLOAOF-UHFFFAOYSA-N
Properties
Density 1.244g/cm3 (Cal.)
Boiling point 402.515°C at 760 mmHg (Cal.)
Flash point 197.234°C (Cal.)
Refractive index 1.619 (Cal.)
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