Cas no 24170-48-7 (Disperse Red 137)

Disperse Red 137 structure
Disperse Red 137 structure
Product Name:Disperse Red 137
CAS No:24170-48-7
MF:C19H19N5O3S2
MW:429.515860795975
CID:52451
PubChem ID:90382
Update Time:2025-04-18

Disperse Red 137 Chemical and Physical Properties

Names and Identifiers

    • Disperse Red 137
    • 3-[(2-Hydroxyethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile
    • 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
    • C.I. DISPERSE RED 137 PRESS CAKE
    • 3-(((2-(Dimethylamino)propyl)thio)methyl)pyridine
    • 3-[(2-dimethylamino-propylmercapto)-methyl]-pyridine
    • 3-[(2-hydroxyethyl)(4-{[6-(methylsulfonyl)benzothiazol-2-yl]azo}phenyl)amino]propiononitrile
    • Pyridine,3-(((2-(dimethylamino)propyl)thio)methyl)
    • DTXSID4066963
    • Propionitrile, 3-[N-(2-hydroxyethyl)-p-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]anilino]-
    • FT-0754808
    • Propanenitrile, 3-((2-hydroxyethyl)(4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)-
    • Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-
    • Propanenitrile, 3-[(2-hydroxyethyl)[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
    • (E)-3-((2-hydroxyethyl)(4-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)diazenyl)phenyl)amino)propanenitrile
    • 5T6YY5UA2B
    • 24170-48-7
    • EINECS 246-057-7
    • 3-[(2-hydroxyethyl)({4-[(1E)-2-(6-methanesulfonyl-1,3-benzothiazol-2-yl)diazen-1-yl]phenyl})amino]propanenitrile
    • NS00027577
    • 3-[(2-Hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile
    • 3-((2-Hydroxyethyl)(4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)propiononitrile
    • 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1, 3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
    • Inchi： 1S/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3/b23-22+
    • InChI Key： ZDFGMUPYJLPKGD-GHVJWSGMSA-N
    • SMILES： S(C)(C1=CC=C2C(=C1)SC(/N=N/C1C=CC(=CC=1)N(CCC#N)CCO)=N2)(=O)=O

Computed Properties

  • Exact Mass: 429.09300
  • Monoisotopic Mass: 429.09293183g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 709
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 156?2

Experimental Properties

  • PSA: 155.63000
  • LogP: 4.90838

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