Cas no 646033-81-0 (Thiazole,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris-)

Thiazole,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris- structure
646033-81-0 structure
Product Name:Thiazole,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris-
CAS No:646033-81-0
MF:C36H27N3S3
MW:597.814684152603
CID:422422
Update Time:2024-01-29

Thiazole,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris- Chemical and Physical Properties

Names and Identifiers

    • Thiazole,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris-
    • Thiazole, 2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':2',1''-terphenyl]-3',4',6'-triyl]tris- (9CI)
    • Inchi: 1S/C36H27N3S3/c1-22-4-10-25(11-5-22)28-29(26-12-6-23(2)7-13-26)32(35-38-17-20-41-35)33(36-39-18-21-42-36)30(27-14-8-24(3)9-15-27)31(28)34-37-16-19-40-34/h4-21H,1-3H3
    • InChI Key: GGSZMFLCROJJGL-UHFFFAOYSA-N
    • SMILES: C1(C2=C(C3=NC=CS3)C(C3=CC=C(C)C=C3)=C(C3=NC=CS3)C(C3=NC=CS3)=C2C2=CC=C(C)C=C2)=CC=C(C)C=C1

Computed Properties

  • Exact Mass: 597.13701

Experimental Properties

  • Density: 1.250±0.06 g/cm3(Predicted)
  • Boiling Point: 786.5±70.0 °C(Predicted)
  • PSA: 38.67
  • pka: 1.40±0.10(Predicted)
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