Cas no 29399-56-2 (Benzenesulfonic acid,4-methyl-, 1,2-ethanediylidenedihydrazide (9CI))

Benzenesulfonic acid,4-methyl-, 1,2-ethanediylidenedihydrazide (9CI) structure
29399-56-2 structure
Product Name:Benzenesulfonic acid,4-methyl-, 1,2-ethanediylidenedihydrazide (9CI)
CAS No:29399-56-2
MF:C16H18N4O4S2
MW:394.468520641327
CID:288526
PubChem ID:9571414
Update Time:2025-04-19

Benzenesulfonic acid,4-methyl-, 1,2-ethanediylidenedihydrazide (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-methyl-, 1,2-ethanediylidenedihydrazide (9CI)
    • 4-methyl-N-[(E)-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethylidene]amino]benzenesulfonamide
    • 4-Methyl-N'-(2-(((4-methylphenyl)sulfonyl)hydrazono)ethylidene)benzenesulfonohydrazide
    • Glyoxal-bis-toluolsulfonylhydrazon
    • NSC126463
    • NSC657431
    • 4-methyl-N-[(E)-[(2E)-2-(p-tolylsulfonylhydrazono)ethylidene]amino]benzenesulfonamide
    • DTXSID10430470
    • NSC-657431
    • NSC-126463
    • 29399-56-2
    • Inchi: 1S/C16H18N4O4S2/c1-13-3-7-15(8-4-13)25(21,22)19-17-11-12-18-20-26(23,24)16-9-5-14(2)6-10-16/h3-12,19-20H,1-2H3/b17-11+,18-12+
    • InChI Key: LOSFGYNYLAIPPE-JYFOCSDGSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N/N=C/C=N/NS(C1C=CC(C)=CC=1)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 394.07700
  • Monoisotopic Mass: 394.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 134A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.35
  • Boiling Point: 575.5°Cat760mmHg
  • Flash Point: 301.9°C
  • Refractive Index: 1.622
  • PSA: 133.82000
  • LogP: 4.47520
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