Cas no 68728-03-0 (Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide)

Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide structure
68728-03-0 structure
Product Name:Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide
CAS No:68728-03-0
MF:C13H14N2O2S2
MW:294.392460346222
CID:526974
PubChem ID:5337684
Update Time:2025-04-19

Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-methyl-, 2-[1-(2-thienyl)ethylidene]hydrazide
    • 4-methyl-N'-[1-(2-thienyl)ethylidene]benzenesulfonohydrazide
    • AC1NSPDE
    • BIM-0011523.P001
    • MolPort-002-366-006
    • NSC254982
    • NSC-254982
    • SMR000135157
    • AKOS000979927
    • CHEMBL3189171
    • 4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
    • MLS000530180
    • 68728-03-0
    • DTXSID80416706
    • SR-01000197188-1
    • 4-METHYL-N'-(1-(2-THIENYL)ETHYLIDENE)BENZENESULFONOHYDRAZIDE
    • SR-01000197188
    • Inchi: 1S/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11+
    • InChI Key: QYIGWVSKOVPXJX-SDNWHVSQSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N/N=C(\C)/C1=CC=CS1)(=O)=O

Computed Properties

  • Exact Mass: 294.04982
  • Monoisotopic Mass: 294.04967004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 420
  • 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: 3.1
  • Topological Polar Surface Area: 95.2?2

Experimental Properties

  • PSA: 58.53
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