Cas no 157764-03-9 ((5-Chloro-1,3-benzothiazol-2-yl)acetonitrile)

(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile structure
157764-03-9 structure
Product Name:(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile
CAS No:157764-03-9
MF:C9H5ClN2S
MW:208.667399168015
MDL:MFCD08271857
CID:107890
PubChem ID:7131972
Update Time:2025-04-18

(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazoleacetonitrile,5-chloro-
    • (5-Chloro-1,3-benzothiazol-2-yl)acetonitrile
    • 2-Benzothiazoleacetonitrile,5-chloro-(9CI)
    • SCHEMBL11585858
    • Z228584304
    • 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile
    • 157764-03-9
    • AKOS008090294
    • CS-0245067
    • EN300-29881
    • 2-(5-chlorobenzo[d]thiazol-2-yl)acetonitrile
    • MDL： MFCD08271857
    • Inchi： 1S/C9H5ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2
    • InChI Key： GCOTWHHKZPEEEV-UHFFFAOYSA-N
    • SMILES： ClC1C=CC2=C(C=1)N=C(CC#N)S2

Computed Properties

  • Exact Mass: 207.98635
  • Monoisotopic Mass: 207.9861970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 2.7
  • Topological Polar Surface Area: 64.9?2

Experimental Properties

  • PSA: 36.68

(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile Pricemore >>

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