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2,2',2"-(1,3,5-Benzenetriyl)tris[5-(2-bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]

View entire compound with spectra: 1 MS (GC)

2,2',2"-(1,3,5-Benzenetriyl)tris[5-(2-bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
SpectraBase Compound ID Kxzn4VQIE6r
InChI InChI=1S/C21H24Br3N9S3/c1-31-19(25-7-4-22)34-16(28-31)13-10-14(17-29-32(2)20(35-17)26-8-5-23)12-15(11-13)18-30-33(3)21(36-18)27-9-6-24/h10-12H,4-9H2,1-3H3
InChIKey JWVDXLJKLWZAKX-UHFFFAOYSA-N
Mol Weight 738.38 g/mol
Molecular Formula C21H24Br3N9S3
Exact Mass 734.886694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvAfV2SuYDI
Name 2,2',2"-(1,3,5-Benzenetriyl)tris[5-(2-bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
Alternate Name(s) 2,2',2''-(1,3,5-Benzenetriyl)tris[5-(2-bromoethylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
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Formula C21H24Br3N9S3
InChI InChI=1S/C21H24Br3N9S3/c1-31-19(25-7-4-22)34-16(28-31)13-10-14(17-29-32(2)20(35-17)26-8-5-23)12-15(11-13)18-30-33(3)21(36-18)27-9-6-24/h10-12H,4-9H2,1-3H3
InChIKey JWVDXLJKLWZAKX-UHFFFAOYSA-N
Molecular Weight 738.378 g/mol
SMILES C=1(SC(N(N1)C)=NCCBr)c1cc(C=2SC(=NCCBr)N(N2)C)cc(C=2SC(=NCCBr)N(N2)C)c1
SPLASH splash10-0007-9200000000-fa9ae042903e851bc1d5
Source of Spectrum H1-36-1275-10
Wiley ID 755361