2-[Bis(methylthio)methylene]malononitrile - CAS 5147-80-8

Catalog: BB027452
Product Name: 2-[Bis(methylthio)methylene]malononitrile
CAS: 5147-80-8
Synonyms: 2-[bis(methylsulfanyl)methylidene]propanedinitrile
2-[Bis(methylthio)methylene]malononitrile
IUPAC Name:2-[bis(methylsulfanyl)methylidene]propanedinitrile
Description:2-[Bis(methylthio)methylene]malononitrile (CAS# 5147-80-8) is a useful reagent for synthesis of isoxazolo[5,4-b]pyridine, pyrrolo[3,2-d]isoxazole, isoxazolo[5,4-b]-azepine-4,7-dione and isoxazole derivatives that could possess anti-cancer properties.
Molecular Weight:170.26
Molecular Formula:C6H6N2S2
Canonical SMILES:CSC(=C(C#N)C#N)SC
InChI:InChI=1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChI Key:FICQFRCPSFCFBY-UHFFFAOYSA-N
Boiling Point:248.3 °C at 760 mmHg
Melting Point:76-78 °C
Purity:98 %
Density:1.256 g/cm3
Appearance:Orange
MDL:MFCD00052730
LogP:1.97116

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