Products 326616-08-4

CAS 326616-08-4 is the registry number for 3-Thioxo-1-trifluoromethyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile. Offered by: Biosynth. Available pack sizes: 50mg, 0,5g.

3-Thioxo-1-trifluoromethyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
Biosynth
  • size: 50mg, 0,5g
  • Variants: 2
View product
Structural formula: {0} (CAS {1})

3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile (CAS 326616-08-4) is a chemical compound with the molecular formula C11H9F3N2S and a molecular weight of 258.26 g/mol. IUPAC name: 3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile. InChIKey: MAWZDKCTPKZVMI-UHFFFAOYSA-N.

Identity
Molecular formulaC11H9F3N2S
Molecular weight258.26 g/mol
IUPAC name3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
InChIKeyMAWZDKCTPKZVMI-UHFFFAOYSA-N
SMILESC1CCC2=C(NC(=S)C(=C2C1)C#N)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: 3-Thioxo-1-trifluoromethyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile, 3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile, 3-thioxo-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile, 3-sulfanyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-thioxo-1-(trifluoromethyl)-2,5,6,7,8-pentahydroisoquinoline-4-carbonitrile
Isomers (same molecular formula)
2-sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile C11H9F3N2S
4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)benzenethiol C11H9F3N2S
4-phenyl-3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione C11H9F3N2S
5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine C11H9F3N2S