Cas no 1006334-07-1 (3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide)

3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide structure
1006334-07-1 structure
Product Name:3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide
CAS No:1006334-07-1
MF:C7H10ClN3S
MW:203.692398548126
MDL:MFCD08558180
CID:3060153
PubChem ID:19616570
Update Time:2025-04-21

3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Chloro-pyrazol-1-yl)-2-methyl-thiopropionamide
    • 3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide
    • DTXSID701239099
    • 1006334-07-1
    • 4-Chloro-I+/--methyl-1H-pyrazole-1-propanethioamide
    • 3-(4-chloropyrazol-1-yl)-2-methylpropanethioamide
    • CS-0272309
    • BBL040654
    • STK350828
    • AKOS000313401
    • EN300-230723
    • MDL: MFCD08558180
    • Inchi: 1S/C7H10ClN3S/c1-5(7(9)12)3-11-4-6(8)2-10-11/h2,4-5H,3H2,1H3,(H2,9,12)
    • InChI Key: XHACJEDCAVIQQO-UHFFFAOYSA-N
    • SMILES: ClC1C=NN(C=1)CC(C(N)=S)C

Computed Properties

  • Exact Mass: 203.0283962Da
  • Monoisotopic Mass: 203.0283962Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 75.9?2

3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanethioamide Pricemore >>

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