5-(cyanomethylsulfanyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile

Names

[ CAS No. ]:
72436-95-4

[ Name ]:
5-(cyanomethylsulfanyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile

[Synonym ]:
4-Isothiazolecarbonitrile,5-((cyanomethyl)thio)-3-(methylthio)
5-((Cyanomethyl)thio)-3-(methylthio)-4-isothiazolecarbonitrile

Chemical & Physical Properties

[ Density]:
1.47g/cm3

[ Boiling Point ]:
306.6ºC at 760mmHg

[ Molecular Formula ]:
C7H5N3S3

[ Molecular Weight ]:
227.33000

[ Flash Point ]:
139.2ºC

[ Exact Mass ]:
226.96500

[ PSA ]:
139.31000

[ LogP ]:
2.35236

[ Index of Refraction ]:
1.665

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Isothiazolecarbonitrile,2,3-dihydro-5-mercapto-3-thioxo-, sodium salt (1:2)
  • 2-chloroacetonitrile
  • Dimethyl sulfate

DownStream