Cas no 1006320-01-9 (3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide)

3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide structure
1006320-01-9 structure
Product Name:3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide
CAS No:1006320-01-9
MF:C7H10ClN3S
MW:203.692398548126
MDL:MFCD08558184
CID:3060155
PubChem ID:19616577
Update Time:2025-04-21

3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Chloro-pyrazol-1-yl)-thiobutyramide
    • 3-(4-chloropyrazol-1-yl)butanethioamide
    • AKOS000313403
    • BBL040656
    • 1006320-01-9
    • STK350830
    • C7H10ClN3S
    • CS-0252826
    • EN300-61709
    • 3-(4-chloro-1H-pyrazol-1-yl)butanethioamide
    • MFCD08558184
    • GQB32001
    • 3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide
    • MDL: MFCD08558184
    • Inchi: 1S/C7H10ClN3S/c1-5(2-7(9)12)11-4-6(8)3-10-11/h3-5H,2H2,1H3,(H2,9,12)
    • InChI Key: ZCQITIVMYGCFHZ-UHFFFAOYSA-N
    • SMILES: ClC1C=NN(C=1)C(C)CC(N)=S

Computed Properties

  • Exact Mass: 203.028396g/mol
  • Monoisotopic Mass: 203.028396g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • 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
  • Molecular Weight: 203.69g/mol
  • XLogP3: 0.6
  • Topological Polar Surface Area: 75.9?2

3-(4-Chloro-1H-pyrazol-1-yl)butanethioamide Pricemore >>

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abcr
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