Cas no 1004193-55-8 (1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole)

1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole structure
1004193-55-8 structure
Product Name:1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole
CAS No:1004193-55-8
MF:C11H7Cl2N3S
MW:284.164378404617
MDL:MFCD04968748
CID:3058494
PubChem ID:7017390
Update Time:2025-04-21

1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2,6-Dichloro-benzyl)-4-isothiocyanato-1H-pyrazole
    • AKOS B017709
    • ART-CHEM-BB B017709
    • 1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole
    • EN300-229245
    • BBL039862
    • 1-[(2,6-dichlorophenyl)methyl]-4-isothiocyanato-1h-pyrazole
    • 1-[(2,6-dichlorophenyl)methyl]-4-isothiocyanatopyrazole
    • 1004193-55-8
    • AKOS000307475
    • CS-0268972
    • STK349448
    • 1-(2,6-dichlorobenzyl)-4-isothiocyanato-1H-pyrazole
    • MDL: MFCD04968748
    • Inchi: 1S/C11H7Cl2N3S/c12-10-2-1-3-11(13)9(10)6-16-5-8(4-15-16)14-7-17/h1-5H,6H2
    • InChI Key: QAZPVUAUAODINR-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1CN1C=C(C=N1)N=C=S)Cl

Computed Properties

  • Exact Mass: 282.9737738Da
  • Monoisotopic Mass: 282.9737738Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 299
  • 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: 4.5
  • Topological Polar Surface Area: 62.3?2

1-(2,6-dichlorophenyl)methyl-4-isothiocyanato-1H-pyrazole Pricemore >>

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