Cas no 1004193-48-9 (1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole)

1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole structure
1004193-48-9 structure
Product Name:1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole
CAS No:1004193-48-9
MF:C11H8FN3S
MW:233.264723777771
MDL:MFCD04968739
CID:3058488
PubChem ID:7017384
Update Time:2025-04-21

1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluoro-benzyl)-4-isothiocyanato-1H-pyrazole
    • AKOS B017700
    • ART-CHEM-BB B017700
    • 1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole
    • 1-[(4-fluorophenyl)methyl]-4-isothiocyanatopyrazole
    • DTXSID301203460
    • STK313208
    • AKOS000307619
    • 1-(4-fluorobenzyl)-4-isothiocyanato-1H-pyrazole
    • 1-[(4-Fluorophenyl)methyl]-4-isothiocyanato-1H-pyrazole
    • EN300-229239
    • 1-[(4-fluorophenyl)methyl]-4-isothiocyanato-pyrazole
    • BBL039242
    • 1004193-48-9
    • MDL: MFCD04968739
    • Inchi: 1S/C11H8FN3S/c12-10-3-1-9(2-4-10)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2
    • InChI Key: PUCFGEJSESHZSK-UHFFFAOYSA-N
    • SMILES: S=C=NC1C=NN(C=1)CC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 233.04229660Da
  • Monoisotopic Mass: 233.04229660Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 3.3
  • Topological Polar Surface Area: 62.3?2

1-(4-fluorophenyl)methyl-4-isothiocyanato-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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