Cas no 101010-74-6 (2-thiazoleacetonitrile)

2-thiazoleacetonitrile structure
2-thiazoleacetonitrile structure
Product Name:2-thiazoleacetonitrile
CAS No:101010-74-6
MF:C5H4N2S
MW:124.163659095764
MDL:MFCD06742776
CID:1127526
PubChem ID:4913352
Update Time:2025-04-20

2-thiazoleacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(1,3-thiazol-2-yl)acetonitrile
    • PB29400
    • thiazolylacetonitrile
    • 2-cyanomethyl-thiazole
    • THIAZOL-2-YL-ACETONITRILE
    • AC1NKHBD
    • SureCN1005554
    • 2-Thiazoleacetonitrile
    • 2-Cyanomethylthiazole
    • 2-(Thiazol-2-yl)acetonitrile
    • OTAVA-BB BB7118560868
    • AS-34093
    • SY240450
    • AKOS000320029
    • MFCD06742776
    • SCHEMBL1005554
    • 101010-74-6
    • DB-058549
    • A897263
    • CS-0051787
    • 2-(2-Thiazolyl)acetonitrile
    • QLBGFCHJCWNVIN-UHFFFAOYSA-N
    • EN300-111840
    • BEA01074
    • DTXSID00406765
    • 2-thiazoleacetonitrile
    • MDL： MFCD06742776
    • Inchi： 1S/C5H4N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
    • InChI Key： QLBGFCHJCWNVIN-UHFFFAOYSA-N
    • SMILES： S1C=CN=C1CC#N

Computed Properties

  • Exact Mass: 124.00962
  • Monoisotopic Mass: 124.00951931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 115
  • 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: 0.6
  • Topological Polar Surface Area: 64.9?2

Experimental Properties

  • Density: 1.262±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 241.2±23.0 oC (760 Torr),
  • Flash Point: 99.7±22.6 oC,
  • Solubility: Dissolution (37 g/l) (25 o C),
  • PSA: 36.68
  • LogP: 1.20918

2-thiazoleacetonitrile Pricemore >>

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