Cas no 5470-48-4 (4-nitrobenzaldehyde thiosemicarbazone)

4-nitrobenzaldehyde thiosemicarbazone structure
5470-48-4 structure
Product Name:4-nitrobenzaldehyde thiosemicarbazone
CAS No:5470-48-4
MF:C8H8N4O2S
MW:224.239719390869
CID:942623
PubChem ID:5711038
Update Time:2025-04-19

4-nitrobenzaldehyde thiosemicarbazone Chemical and Physical Properties

Names and Identifiers

    • 4-nitrobenzaldehyde thiosemicarbazone
    • [(E)-(4-nitrophenyl)methylideneamino]thiourea
    • [2-(4-Nitrobenzylidene)hydrazono](amino)methanethiol
    • 1-(4-nitrobenzylidene) thiosemicarbazide
    • 2-(4-nitrobenzylidene)hydrazinecarbothioamide
    • 4-nitrobenzaldehyde thiosemic
    • 4-nitro-benzaldehyde thiosemicarbazone
    • AI3-30801
    • Benzaldehyde, p-nitro-, thiosemicarbazone
    • BRN 1976875
    • CHEMBL193804
    • para-nitrobenzaldehyde thiosemicarbazone
    • p-Nitrobenzaldehyde thiosemicarbazone
    • p-NO2PhCHNHCSNH2
    • thioisemicarbazone of p-nitrobenzaldehyde
    • WLN: WNR D1UNMYZUS
    • Hydrazinecarbothioamide, 2-[(4-nitrophenyl)methylene]-
    • NSC27486
    • 180864-33-9
    • HY-143449
    • SMR000304555
    • 5470-48-4
    • NSC19716
    • MS-23259
    • NSC-19716
    • p-Nitrobenzaldehyde, thiosemicarbazone
    • CS-0437809
    • NSC 27486
    • NCGC00245820-01
    • NSC12993
    • 4-07-00-00606 (Beilstein Handbook Reference)
    • InChI=1/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
    • AKOS000304455
    • HSDCBIHJEGDMDO-BJMVGYQFSA-
    • SR-01000078542
    • NSC-12993
    • [(E)-(4-nitrophenyl)methyleneamino]thiourea
    • NSC-27486
    • Tyrosinase-IN-2
    • SR-01000078542-1
    • NSC 19716
    • (E)-2-(4-Nitrobenzylidene)hydrazine-1-carbothioamide
    • [(E)-[(4-NITROPHENYL)METHYLIDENE]AMINO]THIOUREA
    • NSC 12993
    • SR-01000078542-2
    • MLS000720026
    • BDBM50356191
    • Hydrazinecarbothioamide, 2-((4-nitrophenyl)methylene)-
    • Inchi： 1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
    • InChI Key： HSDCBIHJEGDMDO-BJMVGYQFSA-N
    • SMILES： S=C(N)N/N=C/C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 224.03694
  • Monoisotopic Mass: 224.03679668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • PSA: 93.55
  • LogP: 2.37630

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