6021-61-0 Purity
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Specification
The molecular formula of Disperse Red 179 is C19H18N6O2S.
The molecular weight of Disperse Red 179 is 394.5 g/mol.
The IUPAC name of Disperse Red 179 is 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
The InChI of Disperse Red 179 is InChI=1S/C19H18N6O2S/c1-3-24(10-4-9-20)14-5-7-16(13(2)11-14)22-23-19-21-17-8-6-15(25(26)27)12-18(17)28-19/h5-8,11-12H,3-4,10H2,1-2H3.
The InChIKey of Disperse Red 179 is WYHKEXCMJQVTSP-UHFFFAOYSA-N.
The Canonical SMILES of Disperse Red 179 is CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C.
The CAS number of Disperse Red 179 is 16586-42-8.
The XLogP3-AA value of Disperse Red 179 is 4.9.
Disperse Red 179 has 0 hydrogen bond donor counts.
Disperse Red 179 has 28 heavy atom counts.