Cas no 147622-13-7 (3-Thiophenecarbonitrile,2-acetyl-)

3-Thiophenecarbonitrile,2-acetyl- structure
147622-13-7 structure
Product Name:3-Thiophenecarbonitrile,2-acetyl-
CAS No:147622-13-7
MF:C7H5NOS
MW:151.185700178146
CID:100728
PubChem ID:45085804
Update Time:2025-04-18

3-Thiophenecarbonitrile,2-acetyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Thiophenecarbonitrile,2-acetyl-
    • 2-ACETYL-3-THIOPHENECARBONITRILE
    • 3-Thiophenecarbonitrile, 2-acetyl- (9CI)
    • SCHEMBL506452
    • 2-Acetylthiophene-3-carbonitrile
    • 3-Thiophenecarbonitrile, 2-acetyl-
    • 2-Acetyl-3-cyanothiophene
    • EN300-7644166
    • AVWLGXNRCRGYRJ-UHFFFAOYSA-N
    • A937793
    • 147622-13-7
    • Inchi: 1S/C7H5NOS/c1-5(9)7-6(4-8)2-3-10-7/h2-3H,1H3
    • InChI Key: AVWLGXNRCRGYRJ-UHFFFAOYSA-N
    • SMILES: S1C=CC(C#N)=C1C(C)=O

Computed Properties

  • Exact Mass: 151.00925
  • Monoisotopic Mass: 151.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 69.1A^2
  • XLogP3: 1.3

Experimental Properties

  • PSA: 40.86

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